data_1yfc_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 1yfc _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 ' -3' ' ' PHE . . . . . 0.603 ' CZ ' ' HA ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.548 0.213 . . . . 0.0 110.961 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER -89.26 15.7 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . 0.603 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . 54.51 170.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -120.39 -131.91 4.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' ALA . 3.1 t 175.23 61.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.14 38.12 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . 5.5 tttm -62.0 -141.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.27 62.19 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.76 -45.66 3.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.15 -58.04 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -14.74 16.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -75.41 -77.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CD1' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -35.74 -48.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' PHE . 5.1 tttm -37.53 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.6 p -95.68 52.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 28.8 mmt180 -150.12 -45.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -124.27 -43.27 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.607 HD11 ' CD1' ' A' ' 10' ' ' PHE . 3.9 tp -45.57 -37.44 5.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -50.12 -22.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.6 m -118.04 -48.65 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 126.852 3.215 . . . . 0.0 108.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -112.31 176.2 5.12 Favored 'General case' 0 C--N 1.381 1.948 0 O-C-N 118.15 -2.844 . . . . 0.0 115.088 -163.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 73.1 p -147.95 108.2 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.391 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.31 -31.0 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -52.69 175.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD2' ' NE2' ' A' ' 33' ' ' HIS . 1.9 tttm -92.05 -53.67 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -47.69 -23.0 2.06 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -36.61 105.58 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -74.99 -7.16 18.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 35.8 m-70 87.31 136.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -123.44 -96.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.8 t -86.48 -23.75 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.92 168.74 24.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -74.98 166.32 29.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' HA3' ' A' ' 24' ' ' GLY . 3.0 t-20 -76.48 141.77 41.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 39.6 mt -94.88 -61.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.414 ' NE2' ' HD2' ' A' ' 22' ' ' LYS . 1.3 t-80 66.81 -147.05 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -79.4 60.05 4.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.0 -144.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.42 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 26.2 m-85 53.89 106.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 120.53 -29.48 5.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 7.3 mmt85 -89.26 171.53 9.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' CE1' HD12 ' A' ' 58' ' ' LEU . 70.9 m80 -95.63 112.87 24.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.479 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 60.4 p 36.16 -153.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.948 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -35.06 151.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.433 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 29.7 mt-30 -141.5 27.95 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.98 126.47 44.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.33 -44.19 5.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.69 56.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 8.9 t80 -88.17 134.82 33.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.453 ' O ' ' CE1' ' A' ' 46' ' ' TYR . 84.2 p -69.31 120.38 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE2' ' HA3' ' A' ' 41' ' ' GLY . 1.6 m-85 -98.21 -166.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.4 p -100.15 159.64 14.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.02 22.16 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.06 -54.1 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -69.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.438 ' CD1' ' CB ' ' A' ' 48' ' ' TYR . 20.4 mt -44.23 -34.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -85.26 46.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -141.2 -47.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.44 28.63 13.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.668 ' CG1' ' CH2' ' A' ' 59' ' ' TRP . 8.0 p -63.4 93.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.573 HD12 ' CE1' ' A' ' 39' ' ' HIS . 9.8 tp -54.04 109.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.668 ' CH2' ' CG1' ' A' ' 57' ' ' VAL . 49.3 m95 -70.92 157.45 38.15 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -167.14 -64.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.597 ' OE2' ' CZ ' ' A' ' -3' ' ' PHE . 1.3 tt0 -166.77 -77.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -57.82 -56.03 27.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 66' ' ' GLU . 7.7 t30 -41.52 -67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -38.29 -56.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -56.26 -38.96 71.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -53.64 -28.59 33.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 20.8 t80 -93.87 -42.84 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.6 mt -48.28 -42.16 29.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.451 ' OG1' ' NH1' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -64.59 -60.63 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.402 ' N ' ' CG2' ' A' ' 69' ' ' THR . 3.9 m-20 -124.13 75.52 59.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -44.95 -53.94 7.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.505 HG13 ' CE1' ' A' ' 67' ' ' TYR . 28.1 mm -87.19 113.61 54.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.47 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.77 55.12 0.75 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 78' ' ' THR . 0.8 OUTLIER -96.89 113.33 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 110.363 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -65.97 -11.24 46.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.9 ttt -63.42 95.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.72 71.62 8.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -102.0 -51.29 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 102.42 -59.04 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.434 ' CA ' ' O ' ' A' ' 69' ' ' THR . . . 134.28 136.94 3.72 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.6 mt -73.61 -35.95 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 1.5 pttm 51.42 22.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -133.34 75.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -38.95 -32.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.332 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' LYS . 15.3 mttt -48.02 -64.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 93' ' ' ASP . 4.4 m-20 -61.95 -47.2 85.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.462 ' CZ ' ' HG3' ' A' ' 88' ' ' GLU . 6.6 mtm180 -46.73 -43.78 18.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.65 -34.81 71.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 90' ' ' ASP . 56.0 m-20 -83.05 -37.16 24.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -43.28 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.4 mp -50.01 -53.07 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -35.71 -48.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -87.26 -43.02 12.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -41.95 -58.01 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.91 -38.82 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -69.54 -57.44 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.03 -39.39 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -69.56 -25.18 63.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' -1' ' ' ALA . 5.6 t80 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.483 0.183 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.19 107.46 19.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . 0.448 ' HA ' ' CE1' ' A' ' -3' ' ' PHE . . . -70.78 156.04 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -178.25 -103.23 0.17 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.142 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 3' ' ' ALA . 96.5 p 55.49 -95.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.452 ' N ' ' OG ' ' A' ' 2' ' ' SER . . . 51.16 -143.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -70.25 75.02 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.01 -34.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.76 -24.4 42.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.462 ' HB1' ' CE2' ' A' ' 97' ' ' TYR . . . -63.54 -32.43 73.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -11.45 31.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -77.09 -78.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -37.47 -50.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.5 tptt -38.49 -32.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.562 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -134.14 126.53 30.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.421 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 89.61 21.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 72.3 m -156.1 -71.77 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 108.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 10' ' ' PHE . 1.8 tp -45.99 -26.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 14' ' ' CYS . 11.2 pt20 -54.36 -27.37 35.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.465 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 95.3 m -113.43 -56.25 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 126.843 3.211 . . . . 0.0 108.294 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -104.84 151.65 23.56 Favored 'General case' 0 C--N 1.381 1.94 0 O-C-N 118.204 -2.81 . . . . 0.0 115.102 -163.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -109.25 124.87 51.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 111.05 -2.795 . . . . 0.0 110.425 -179.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.472 HG23 ' CB ' ' A' ' 101' ' ' ALA . 5.8 p -91.46 -21.79 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.8 159.97 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.627 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 3.1 tttt -78.33 162.81 26.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.64 56.3 22.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.66 126.69 8.27 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.0 -9.46 20.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.559 1.821 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.521 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 28.0 m-70 84.03 137.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.584 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -114.54 -100.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 95.6 t -85.92 -24.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.48 170.23 24.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -74.98 163.21 35.83 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -68.97 136.18 52.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' HIS . 18.4 mt -89.05 -47.44 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.627 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 1.2 p-80 -38.85 103.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.613 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.96 -25.08 4.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.659 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.5 pp -60.81 -158.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.659 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 3.0 m-85 58.01 92.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 123.99 -11.92 8.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.552 1.157 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 58' ' ' LEU . 20.1 mmt-85 -112.6 174.36 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.491 ' CD2' ' CD1' ' A' ' 58' ' ' LEU . 4.9 m170 -92.88 115.18 27.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.555 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.457 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 85.6 p 39.01 -160.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -56.32 135.03 50.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' NE2' ' HD2' ' A' ' 38' ' ' ARG . 8.3 mt-30 -126.5 25.23 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.12 126.91 31.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -111.77 95.25 5.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.92 -47.59 0.86 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 47' ' ' SER . 7.8 t80 -76.07 127.52 33.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.543 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 36.7 p -53.79 128.03 28.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.956 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.56 ' CD2' HG13 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -117.41 -175.42 2.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.9 p -108.75 162.27 14.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.04 21.98 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.03 -54.38 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 54' ' ' LYS . 1.7 m-20 -65.43 -80.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 48' ' ' TYR . 31.8 mt -39.58 -32.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 52' ' ' ASN . 6.3 mmtp -85.12 46.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.53 -46.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' OD1' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 69.41 37.1 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.62 HG12 ' CH2' ' A' ' 59' ' ' TRP . 2.6 p -74.61 90.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.5 tp -51.34 116.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.62 ' CH2' HG12 ' A' ' 57' ' ' VAL . 52.4 m95 -80.96 140.9 34.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 107.988 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -153.65 -69.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 1.9 tt0 -167.67 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.429 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -53.78 -49.56 68.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.406 ' ND2' ' CE3' ' A' ' 59' ' ' TRP . 4.6 t30 -44.59 -64.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.4 ttm -43.49 -44.6 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.422 ' CB ' HD12 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -48.63 -36.73 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.004 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -75.65 -44.52 42.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -53.9 -43.02 69.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.8 mt -74.42 -176.5 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.421 ' OG1' ' NH1' ' A' ' 91' ' ' ARG . 0.4 OUTLIER 72.88 -55.37 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -134.53 66.93 71.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CD2' HG13 ' A' ' 75' ' ' ILE . 69.5 t80 -39.54 -53.65 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.559 HG13 ' CD2' ' A' ' 74' ' ' TYR . 50.4 mt -109.4 106.4 58.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 100.73 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.88 36.56 1.24 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 78' ' ' THR . 1.2 t -100.95 114.29 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -60.84 -15.09 26.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.0 ttt -58.93 92.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.81 69.48 10.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 16.9 t80 -114.99 129.55 56.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.56 -58.26 15.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.503 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 119.28 144.88 7.47 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.7 -170.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -150.69 -58.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.6 mmmt -60.99 90.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -38.43 -36.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -47.75 -62.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 4.0 m-20 -63.23 -44.94 93.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.421 ' NH1' ' OG1' ' A' ' 69' ' ' THR . 15.6 mtm180 -50.75 -41.78 56.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -74.81 -42.15 58.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 96' ' ' THR . 90.4 m-20 -55.57 -66.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.464 ' CD2' HD21 ' A' ' 9' ' ' LEU . 14.6 tp -39.86 -58.48 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.422 HD12 ' CB ' ' A' ' 65' ' ' SER . 87.4 mt -42.04 -45.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.8 OUTLIER -65.46 -55.01 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.462 ' CE2' ' HB1' ' A' ' 7' ' ' ALA . 40.5 t80 -56.71 -40.97 76.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -44.93 80.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.74 -46.06 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -46.23 16.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.472 ' CB ' HG23 ' A' ' 20' ' ' VAL . . . -48.87 -48.02 42.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.45 ' CB ' ' HA ' ' A' ' 33' ' ' HIS . 6.6 p -74.88 -30.72 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.511 0.196 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.54 20.26 10.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . 0.572 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . 58.73 158.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -115.9 -33.6 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.16 167.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 110.045 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.46 64.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -126.49 119.19 26.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER 38.26 38.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.03 -55.95 0.86 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 97' ' ' TYR . . . -55.76 -55.52 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.34 -20.46 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -67.46 -77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 58.1 t80 -41.77 -46.12 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.81 -28.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.573 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -129.75 127.26 40.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.573 ' CB ' ' O ' ' A' ' 12' ' ' THR . 1.2 mmt180 90.04 22.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 42.1 m -155.48 -67.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.3 mp -42.67 -42.04 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -42.7 -27.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 74.2 m -114.1 -59.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 126.861 3.219 . . . . 0.0 108.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -101.41 167.15 10.35 Favored 'General case' 0 C--N 1.381 1.963 0 O-C-N 118.148 -2.845 . . . . 0.0 115.087 -163.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.2 p -141.95 115.59 9.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 111.099 -2.773 . . . . 0.0 110.385 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.405 ' CG2' ' HA ' ' A' ' 102' ' ' SER . 7.0 p -73.58 -23.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -61.8 162.35 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.55 ' CD ' ' NE2' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -88.31 170.51 10.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.39 58.99 3.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.15 147.19 18.36 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.18 32.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.581 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 32.0 m-70 -77.88 111.44 13.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 -111.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.475 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 90.1 t -84.43 -30.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.76 155.0 20.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -75.03 139.08 23.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.951 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.3 m120 -49.96 118.18 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.0 mt -72.06 -67.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.55 ' NE2' ' CD ' ' A' ' 22' ' ' LYS . 1.5 t-80 73.93 -138.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.58 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -87.29 59.1 4.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.452 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.46 -149.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 51.2 m-85 55.53 100.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 127.26 -32.14 3.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.458 ' NE ' ' OE1' ' A' ' 42' ' ' GLN . 4.9 mmt180 -85.46 171.29 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -93.44 111.15 22.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.545 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.468 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 84.1 p 40.84 -162.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.531 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -48.73 130.25 22.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' OE1' ' NE ' ' A' ' 38' ' ' ARG . 9.3 mt-30 -135.02 34.5 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 44' ' ' GLU . . . -72.34 -14.22 61.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 43' ' ' ALA . 2.6 tm-20 33.61 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.83 -46.77 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 4.3 t80 -53.48 140.66 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.6 p -66.08 79.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CD2' HG13 ' A' ' 53' ' ' ILE . 3.4 m-85 -80.17 178.07 8.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 p -115.31 -152.2 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.74 23.34 11.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.33 -56.67 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 54' ' ' LYS . 2.5 m-20 -63.61 -82.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.58 HG13 ' CD2' ' A' ' 48' ' ' TYR . 14.8 mt -38.67 -32.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' ' C ' ' A' ' 52' ' ' ASN . 12.9 mmtt -84.12 47.86 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.6 -46.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.607 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER 59.9 32.18 21.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.67 ' CG1' ' CZ2' ' A' ' 59' ' ' TRP . 14.4 p -72.34 90.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -52.27 96.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.67 ' CZ2' ' CG1' ' A' ' 57' ' ' VAL . 51.5 m95 -58.28 145.48 37.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 108.028 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -141.49 -60.38 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' CG ' ' CG2' ' A' ' 95' ' ' ILE . 11.5 tt0 -178.71 -55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.8 OUTLIER -84.28 -56.3 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.438 ' CG ' ' N ' ' A' ' 64' ' ' MET . 1.1 p-10 -40.59 -40.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.59 ' SD ' ' CE1' ' A' ' 36' ' ' PHE . 34.7 ttm -63.51 -44.97 92.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' ASN . 11.2 t -53.95 -51.75 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -43.74 -48.55 8.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' PRO . 8.3 t80 -67.62 -48.3 67.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -45.69 -45.43 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -56.59 19.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -124.95 75.3 66.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -41.99 -39.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.42 HG13 ' CE1' ' A' ' 67' ' ' TYR . 23.8 mm -112.68 95.85 34.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 90.56 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.59 38.62 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 78' ' ' THR . 1.6 t -105.65 115.22 29.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -58.58 -17.75 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.4 ttt -57.73 91.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.91 84.92 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -120.82 132.31 54.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.86 -53.88 34.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.36 118.54 3.07 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.2 mt -61.73 165.11 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.46 -53.55 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' GLU . 7.4 mmmt -55.57 98.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -37.0 -63.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' ASN . 10.7 mttt -44.42 -56.24 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -44.6 -32.65 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 88' ' ' GLU . 12.8 mtm180 -79.65 -38.6 33.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' LYS . 13.7 m-20 -69.3 -34.21 74.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -69.17 -44.93 71.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' CD2' HD23 ' A' ' 9' ' ' LEU . 7.4 tp -57.0 -67.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.486 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 6.9 mt -40.7 -51.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.56 -52.13 18.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 60.8 t80 -71.28 -41.63 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.402 ' O ' ' OG ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -55.48 -52.96 61.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -35.4 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 103' ' ' GLU . 44.3 tttm -74.49 -62.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.73 31.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.405 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 27.6 p -62.75 -25.9 68.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 100' ' ' LYS . 22.3 pt-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.454 0.168 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.76 130.87 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -71.76 155.61 40.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.416 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . -115.05 -141.07 7.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 168.47 75.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.03 52.12 5.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.3 101.57 10.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt 41.53 49.92 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.54 -45.51 2.5 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -64.36 -58.51 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.26 -26.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 8.0 tt -71.43 -77.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.596 ' CD1' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -43.15 -48.72 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 10' ' ' PHE . 3.0 ttpp -29.82 -73.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.553 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.2 m -109.48 60.61 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -146.84 -60.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -35.57 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.596 HD11 ' CD1' ' A' ' 10' ' ' PHE . 4.5 tp -43.43 -36.86 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -48.65 -33.42 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 87.7 m -104.62 -55.44 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 126.812 3.196 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -105.03 162.77 13.08 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 118.151 -2.843 . . . . 0.0 115.15 -163.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.533 ' CG2' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -111.7 115.86 29.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 111.127 -2.761 . . . . 0.0 110.41 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.534 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 2.6 p -86.21 -30.86 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -59.51 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.659 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 2.8 ttpt -123.22 -63.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.63 56.56 2.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.26 128.28 6.12 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 159.94 40.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.537 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 16.2 m-70 -73.5 141.63 46.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.613 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -122.33 -97.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 77.0 t -89.99 -23.61 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.94 163.41 26.99 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 159.67 40.95 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.533 ' ND2' ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER -64.67 138.42 58.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' HIS . 18.9 mt -92.77 -47.37 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.659 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -37.86 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.584 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.5 -25.09 4.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.67 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.5 pp -60.26 -158.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.67 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 3.2 m-85 57.83 93.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 121.51 -14.17 9.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.438 1.086 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 38' ' ' ARG . 1.1 mpt_? -111.99 165.33 12.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 110.375 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.527 ' CE1' HD11 ' A' ' 58' ' ' LEU . 1.6 m80 -89.06 146.32 24.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.0 p -37.86 140.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.967 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.67 93.22 0.37 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.117 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -126.51 3.5 6.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 0.803 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.71 126.82 53.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -99.72 -48.87 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.253 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.91 -40.52 73.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.537 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 10.3 t80 -94.29 121.58 35.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 89.9 p -62.02 139.73 58.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.43 ' CB ' HD13 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -106.4 -177.96 3.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -85.94 157.76 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.62 12.99 13.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.08 -45.88 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 55' ' ' LYS . 13.1 t-20 -60.73 -71.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.43 HD13 ' CB ' ' A' ' 48' ' ' TYR . 48.3 mt -39.79 -33.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' ASN . 6.5 mmtp -87.52 45.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -141.73 -48.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 58.39 86.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -126.21 102.57 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.527 HD11 ' CE1' ' A' ' 39' ' ' HIS . 1.1 tt -62.7 79.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.52 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 53.9 m95 -33.42 142.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.602 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 t0 -148.83 -72.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -169.39 -66.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.85 -46.6 68.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -48.1 -65.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.52 ' HG3' ' CE3' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -47.81 -52.09 20.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 t -44.59 -46.68 10.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -42.93 78.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.498 ' O ' ' CA ' ' A' ' 71' ' ' PRO . 25.4 t80 -72.66 -30.53 64.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.34 -45.88 82.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 70' ' ' ASN . 4.2 t -70.27 -44.5 68.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.421 ' N ' HG21 ' A' ' 69' ' ' THR . 11.0 t-20 -130.76 73.32 81.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.498 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.416 ' OH ' ' CG1' ' A' ' 57' ' ' VAL . 25.4 t80 -40.27 -54.17 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.5 mt -108.4 107.91 60.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.49 4.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.27 42.53 5.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 78' ' ' THR . 5.1 t -93.68 108.97 20.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -44.44 -27.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 78' ' ' THR . 21.4 ttt -58.75 93.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.03 62.8 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -99.97 144.64 28.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -71.23 95.88 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.61 117.33 1.16 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.404 HD23 ' NH2' ' A' ' 13' ' ' ARG . 6.0 mt -69.23 179.23 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -150.86 -55.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.34 92.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' LYS . 5.2 mt-10 -44.23 -33.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -45.24 -66.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -46.51 81.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -47.51 -37.88 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -71.34 -59.85 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -44.34 -51.32 8.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 9' ' ' LEU . 11.5 tp -53.5 -67.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' LEU . 53.3 mt -39.62 -54.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -42.47 -48.76 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 100' ' ' LYS . 13.8 t80 -79.2 -45.75 19.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.78 -52.16 6.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.37 -39.45 57.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 103' ' ' GLU . 4.8 tmmm? -72.65 -44.55 61.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.471 ' HB3' ' CG2' ' A' ' 20' ' ' VAL . . . -42.49 -43.91 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -83.95 -28.25 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.59 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 6.5 t80 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 101.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.57 156.15 27.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -90.88 -117.09 1.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p 176.77 -70.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.22 -178.92 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.73 54.01 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -179.01 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.91 -42.02 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.572 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -57.23 -59.34 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.13 -22.15 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -67.8 -80.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CE2' HD22 ' A' ' 15' ' ' LEU . 11.5 t80 -37.31 -39.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -45.63 -44.55 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 67.9 p -124.41 142.84 50.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' THR . 3.1 mmt180 79.95 19.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -158.49 -68.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' CE2' ' A' ' 10' ' ' PHE . 13.5 mt -45.83 -43.49 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -47.43 -24.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.0 m -110.8 -56.82 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 126.831 3.205 . . . . 0.0 108.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -110.3 174.26 5.94 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 118.174 -2.828 . . . . 0.0 115.105 -163.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 20.5 p -148.41 124.01 10.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 111.078 -2.783 . . . . 0.0 110.426 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.12 -21.96 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -54.03 179.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 7.2 tttm -115.4 154.12 29.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 77.0 21.53 73.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.73 133.46 40.98 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.03 14.8 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 22.3 m-70 72.65 127.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.633 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -122.59 -99.01 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.5 t -85.94 -37.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.38 160.69 23.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.97 140.52 25.64 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 19' ' ' THR . 2.1 m120 -57.48 119.33 6.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.49 -66.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.8 OUTLIER 76.69 -136.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.606 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -91.2 59.56 3.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -61.75 -142.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.427 0.722 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 60' ' ' ASP . 26.7 m-85 52.09 103.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.46 -57.0 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 18.2 mmt85 -70.54 179.32 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.582 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -105.35 121.88 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.496 ' O ' ' C ' ' A' ' 41' ' ' GLY . 51.5 p 35.81 -153.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 40' ' ' SER . . . -30.16 129.45 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.562 1.164 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.436 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 46.3 mt-30 -114.95 -0.37 13.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.25 153.67 48.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' GLY . 36.5 mt-10 -108.64 -37.58 5.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' GLU . . . -37.87 -53.69 1.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -72.8 129.2 37.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.987 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.6 p -73.45 86.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.467 ' CE2' ' CA ' ' A' ' 41' ' ' GLY . 3.7 m-85 -62.06 -179.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -103.26 177.61 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.74 22.22 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -115.54 -58.8 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.31 -74.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 48' ' ' TYR . 4.9 mt -41.23 -37.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -85.62 46.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 -47.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 57.68 68.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -107.66 106.0 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.582 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -57.94 81.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.562 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 43.3 m95 -39.25 135.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 107.979 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 5.8 t0 -154.35 -156.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE2' ' CD2' ' A' ' -3' ' ' PHE . 29.0 tt0 -83.49 -27.01 29.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.72 -36.95 4.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -45.84 -62.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.562 ' HG3' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -60.04 -39.53 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.474 ' OG ' ' CD1' ' A' ' 95' ' ' ILE . 16.1 m -51.21 -45.29 61.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.49 -43.67 98.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 9.5 t80 -70.12 -54.75 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.49 -38.0 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.438 ' OG1' ' NH1' ' A' ' 91' ' ' ARG . 0.7 OUTLIER -62.9 -46.73 86.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -140.1 73.01 32.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -37.59 -48.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 67' ' ' TYR . 64.8 mt -111.02 100.77 47.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 98.26 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.521 1.801 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 51' ' ' ALA . . . 119.78 35.21 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 78' ' ' THR . 1.8 t -95.6 111.11 23.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -19.19 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.3 ttt -59.94 95.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.86 59.58 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -97.01 -66.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.51 -65.81 0.5 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.51 148.48 7.07 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.0 mt -86.57 -169.48 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.464 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -147.17 -47.79 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -65.41 92.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.0 -32.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -46.85 -64.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.18 -47.12 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 86' ' ' LYS . 5.5 mtm180 -47.66 -44.15 26.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -70.17 -60.38 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -40.39 -45.18 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 97' ' ' TYR . 7.0 tp -54.04 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.474 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 8.4 mt -43.24 -28.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -70.54 -47.08 62.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 52.3 t80 -75.58 -44.55 42.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -55.48 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -51.33 -28.97 13.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -65.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.23 -50.83 48.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' HIS . 40.8 m -66.8 -32.13 73.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.5 ' CE1' HG23 ' A' ' 95' ' ' ILE . 9.3 t80 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.481 0.182 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -82.4 103.44 11.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -41.47 158.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.43 ' CA ' HG22 ' A' ' 96' ' ' THR . . . -107.77 -125.2 5.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.415 ' N ' HG22 ' A' ' 96' ' ' THR . 33.7 p -168.45 170.42 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.032 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.16 53.54 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.59 58.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -174.55 -40.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.22 -38.43 5.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.572 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -49.36 -61.48 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -16.98 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.492 ' CD2' ' CD1' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -75.59 -76.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 36.1 t80 -35.79 -47.2 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.75 -49.17 20.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -106.91 123.95 48.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 87.61 23.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.75 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.639 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 mp -46.13 -40.64 11.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -48.6 -25.41 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.7 m -110.88 -56.99 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 126.855 3.217 . . . . 0.0 108.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -108.5 176.01 5.27 Favored 'General case' 0 C--N 1.381 1.939 0 O-C-N 118.165 -2.834 . . . . 0.0 115.126 -163.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.484 ' CG2' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -139.82 135.25 32.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.091 -2.777 . . . . 0.0 110.398 -179.381 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -86.68 -39.21 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 11.1 mttt -127.74 -57.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -40.14 -33.73 0.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.23 124.37 34.93 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.595 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 44.6 m-70 -87.51 135.5 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -123.22 -98.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -95.06 -24.61 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.38 155.46 23.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.76 31.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.484 ' ND2' ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -55.54 127.85 31.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 mt -85.74 -64.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER 70.87 -147.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.604 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -78.49 59.56 4.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -60.29 -143.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE1' ' CE ' ' A' ' 64' ' ' MET . 24.7 m-85 57.38 115.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.01 -31.44 6.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 13.4 mmt-85 -87.96 170.86 10.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' SER . 19.3 m80 -100.05 115.52 29.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.48 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 79.7 p 37.37 -155.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -35.21 151.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 26.2 mt-30 -141.04 28.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.54 150.66 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -109.31 -35.41 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.87 -53.27 3.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -72.85 129.36 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.3 p -64.85 81.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CE2' ' HA3' ' A' ' 41' ' ' GLY . 1.9 m-85 -67.84 -176.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 p -109.14 -176.41 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.367 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.79 22.02 16.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.69 -57.94 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -60.01 -73.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.5 mt -39.76 -38.24 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -86.94 46.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -139.75 -46.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER 69.27 21.05 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.583 HG12 ' CH2' ' A' ' 59' ' ' TRP . 2.5 p -49.74 92.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ASN . 1.7 tt -58.39 99.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.583 ' CH2' HG12 ' A' ' 57' ' ' VAL . 53.8 m95 -63.03 136.39 57.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.555 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 t70 -145.95 -153.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 95' ' ' ILE . 1.0 OUTLIER -87.65 -25.77 23.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -116.47 -42.98 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 58' ' ' LEU . 13.1 t30 -41.2 -57.44 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.598 ' CE ' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -58.62 -42.42 88.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -47.37 -40.0 16.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -49.33 61.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.465 ' CD1' HD13 ' A' ' 75' ' ' ILE . 23.8 t80 -61.28 -57.58 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.6 mt -45.09 -42.22 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.77 -60.01 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.59 75.86 72.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.456 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.483 ' CD2' HG13 ' A' ' 75' ' ' ILE . 75.7 t80 -37.4 -50.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.483 HG13 ' CD2' ' A' ' 74' ' ' TYR . 32.8 mt -108.8 101.57 44.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 81.97 2.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.73 44.11 0.08 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -109.49 113.95 27.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.411 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -14.16 33.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 19.1 ttt -60.29 97.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.95 62.11 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -99.5 130.12 45.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -43.87 -59.76 3.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.93 111.22 2.74 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.65 169.01 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' O ' ' NE ' ' A' ' 91' ' ' ARG . 14.8 mtmm -152.78 -48.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -64.12 104.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -41.63 -31.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.84 -67.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.23 -48.2 79.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.407 ' NE ' ' O ' ' A' ' 86' ' ' LYS . 8.4 mtm180 -48.09 -42.04 27.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -68.42 -58.9 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -44.08 -54.02 5.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.492 ' CD1' ' CD2' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -56.55 -68.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.5 HG23 ' CE1' ' A' ' -3' ' ' PHE . 11.7 mt -40.4 -36.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.43 HG22 ' CA ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -66.27 -49.5 66.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 34.6 t80 -73.56 -50.8 19.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -45.21 -50.26 11.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.177 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -55.55 -35.28 65.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLU . 2.1 tmtt? -78.51 -66.2 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -45.81 -47.97 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 38.9 p -68.3 -28.43 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 100' ' ' LYS . 16.7 pt-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' -3' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.47 0.176 . . . . 0.0 110.975 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -93.26 131.13 38.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -91.75 155.63 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -102.99 -38.17 2.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.94 -72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.001 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.25 32.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HG3' ' CA ' ' A' ' 1' ' ' GLY . 3.2 mmtp -69.58 -158.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.14 58.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.7 -53.6 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.561 ' HB1' ' CE2' ' A' ' 97' ' ' TYR . . . -57.25 -52.34 65.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.736 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -18.88 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -71.48 -77.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 20' ' ' VAL . 41.6 t80 -37.06 -43.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -40.21 -42.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.2 p -123.78 148.99 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 12' ' ' THR . 5.7 mmt180 77.54 8.08 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -152.31 -63.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 108.331 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.554 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.5 tp -46.94 -42.24 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -49.52 -22.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -114.3 -58.14 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 126.876 3.227 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.465 ' CE1' ' HA3' ' A' ' 29' ' ' GLY . 93.1 m-70 -109.82 170.15 8.26 Favored 'General case' 0 C--N 1.382 1.982 0 O-C-N 118.126 -2.859 . . . . 0.0 115.126 -163.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.408 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 11.7 p -135.82 113.15 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.457 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 p -73.14 -29.05 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 3.1 mt-10 -61.83 160.78 11.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.549 ' CG ' ' NE2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -69.44 -163.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.23 41.34 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.4 ' HA3' ' OD1' ' A' ' 31' ' ' ASN . . . -60.47 119.1 17.13 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.79 20.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.581 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 12.6 m-70 69.41 107.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -115.94 -98.97 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.89 -33.32 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 18' ' ' HIS . . . -138.59 161.25 25.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.47 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -75.02 143.35 28.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.56 1.821 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.7 t30 -41.88 151.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 34' ' ' GLY . 55.8 mt -128.64 49.98 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' CG ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -47.93 90.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.606 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 24.6 49.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.723 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -38.59 120.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 5.7 m-85 -178.76 122.57 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.14 4.68 57.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.502 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 23.7 mmt-85 -121.76 176.22 5.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.786 . . . . 0.0 110.333 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.516 ' CD2' HD11 ' A' ' 58' ' ' LEU . 51.5 m80 -103.32 115.86 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.581 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.473 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 79.4 p 38.56 -158.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -56.85 126.75 42.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -120.41 50.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -128.2 131.43 48.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -98.73 -52.35 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.17 -48.7 2.12 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -79.91 122.8 27.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 110.994 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.0 p -65.51 83.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.569 ' CE2' ' HA3' ' A' ' 41' ' ' GLY . 2.0 m-85 -62.7 -173.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 111.052 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.6 p -109.79 176.48 5.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.23 22.55 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.6 -57.06 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -62.82 -77.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 48' ' ' TYR . 31.6 mt -39.25 -32.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 52' ' ' ASN . 5.9 mmtp -85.01 47.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.42 -47.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER 66.96 10.89 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.596 HG12 ' CH2' ' A' ' 59' ' ' TRP . 3.0 p -50.88 92.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' ' 39' ' ' HIS . 11.7 tp -54.83 115.96 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CH2' HG12 ' A' ' 57' ' ' VAL . 46.0 m95 -80.19 117.86 21.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 41.5 t0 -114.65 -65.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.473 ' CG ' ' CG2' ' A' ' 95' ' ' ILE . 36.0 tt0 -179.0 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ASN . 2.7 t30 -95.77 -63.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 58' ' ' LEU . 6.0 p-10 -39.87 -42.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.566 ' HE1' ' CE3' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -48.23 -49.23 33.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -49.47 76.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.61 -32.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE1' HD13 ' A' ' 75' ' ' ILE . 7.7 t80 -86.23 -50.88 6.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.8 mt -42.85 -44.23 4.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.413 HG21 ' N ' ' A' ' 70' ' ' ASN . 3.6 t -64.89 -45.32 86.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.413 ' N ' HG21 ' A' ' 69' ' ' THR . 6.6 t-20 -129.01 73.43 81.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' TYR . 6.1 tttp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' LYS . 2.1 t80 -37.14 -48.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 67' ' ' TYR . 85.8 mt -110.21 99.73 41.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 89.98 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.87 40.36 0.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 78' ' ' THR . 0.7 OUTLIER -103.24 117.09 33.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.413 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -66.38 -10.51 44.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.42 ' HE1' ' CD2' ' A' ' 82' ' ' PHE . 12.1 ttt -59.74 95.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.3 68.69 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.51 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 20.2 t80 -124.55 153.66 41.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.16 98.71 1.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.51 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . -39.08 118.76 0.86 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.85 -56.35 14.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm 77.07 42.12 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLU . 33.0 mmtp -131.61 79.08 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.4 OUTLIER -38.19 -34.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -68.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -65.69 -55.13 19.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -42.8 -44.56 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 36.6 m-20 -53.68 -47.58 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.2 -56.67 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.451 ' CD1' HD23 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -55.24 -58.05 9.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.473 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 68.4 mt -40.47 -29.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.444 ' N ' ' C ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -87.36 -50.08 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE2' ' HB1' ' A' ' 7' ' ' ALA . 58.3 t80 -58.97 -45.3 90.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -42.3 73.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 5.0 ttpp -64.1 -13.41 47.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.15 -25.8 13.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 20' ' ' VAL . . . -49.46 -51.08 38.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.5 p -51.47 -21.61 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' -2' ' ' LYS . 3.5 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.505 0.193 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . 0.6 ' O ' ' CZ ' ' A' ' -3' ' ' PHE . 1.1 tptm -88.45 161.4 17.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -86.96 163.96 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.45 ' HA3' ' CG2' ' A' ' 96' ' ' THR . . . -120.52 97.56 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -83.57 51.14 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 0.74 . . . . 0.0 109.974 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 4' ' ' LYS . . . 43.33 -164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 20.0 pttp 39.71 67.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 164.86 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.53 -41.33 5.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -59.79 -73.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.11 -29.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -65.21 -77.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.641 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 56.5 t80 -40.86 -27.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 9' ' ' LEU . 4.5 ttmt -58.18 -44.45 88.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.9 p -122.38 146.43 47.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.438 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 76.83 7.59 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.1 m -147.08 -66.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.299 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.641 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.5 tp -44.71 -34.86 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -48.94 -23.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.2 m -109.79 -56.1 2.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 126.795 3.188 . . . . 0.0 108.303 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -109.91 176.18 5.16 Favored 'General case' 0 C--N 1.381 1.95 0 O-C-N 118.178 -2.826 . . . . 0.0 115.127 -163.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.475 ' CG2' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -135.55 126.64 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 111.078 -2.783 . . . . 0.0 110.39 -179.392 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.571 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 4.1 p -86.6 -33.27 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.19 157.89 33.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.642 ' CD ' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -73.96 -170.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.57 59.61 1.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.28 126.57 5.43 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 124.64 8.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.7 m-70 -46.07 144.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -132.86 -94.18 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.3 t -95.74 -27.84 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.53 160.39 26.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.04 143.54 29.06 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.475 ' ND2' ' CG2' ' A' ' 19' ' ' THR . 0.6 OUTLIER -52.95 133.21 38.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.9 24.62 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' CE1' ' CD ' ' A' ' 22' ' ' LYS . 51.4 t-80 -80.59 94.86 6.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.25 57.74 0.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.563 1.164 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.676 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.3 pp -116.0 -161.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.676 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 2.6 m-85 59.65 116.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.82 27.32 6.72 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.517 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 20.8 mmt180 -151.35 -173.63 4.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.558 ' CD2' HD11 ' A' ' 58' ' ' LEU . 5.1 m80 -106.48 155.87 19.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.454 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 77.5 p -39.56 129.4 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.593 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 102.54 76.5 1.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.517 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 20.4 mt-30 -111.44 35.13 3.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.17 134.82 28.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -110.59 91.29 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.51 -47.01 0.89 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 1.3 t80 -55.45 131.62 46.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -72.96 94.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.593 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 2.8 m-85 -77.99 175.45 10.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 p -101.7 173.97 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.51 23.21 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.33 -54.74 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 55' ' ' LYS . 24.2 t30 -63.2 -77.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 48' ' ' TYR . 15.9 mt -41.5 -34.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -87.75 43.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -141.94 -47.01 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 1.3 t-20 83.24 39.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.574 HG12 ' CZ2' ' A' ' 59' ' ' TRP . 2.7 p -72.04 88.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.558 HD11 ' CD2' ' A' ' 39' ' ' HIS . 7.0 tp -63.09 99.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 57' ' ' VAL . 43.5 m95 -62.09 118.59 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 108.007 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.563 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -136.44 -70.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -169.15 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.476 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -61.33 -35.64 77.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.404 ' OD1' ' OH ' ' A' ' 74' ' ' TYR . 42.0 t30 -63.09 -60.96 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 36' ' ' PHE . 29.1 ttm -53.62 -42.77 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.1 t -51.48 -44.83 62.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -61.26 -37.83 84.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.576 ' CE1' HG13 ' A' ' 75' ' ' ILE . 15.4 t80 -73.27 -35.16 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.8 mt -67.72 -47.62 68.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.1 t -68.56 -44.11 75.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -130.17 73.86 80.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.496 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.467 1.772 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 tptt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.404 ' OH ' ' OD1' ' A' ' 63' ' ' ASN . 4.3 t80 -38.42 -49.15 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 67' ' ' TYR . 6.6 mm -102.33 107.2 52.44 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 99.97 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.446 1.761 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.8 54.0 1.58 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 78' ' ' THR . 2.8 t -106.0 115.01 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -52.22 -22.5 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.401 ' SD ' ' OH ' ' A' ' 67' ' ' TYR . 21.4 ttt -59.85 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -89.81 78.03 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -106.73 135.64 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -38.46 -55.13 2.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.13 104.03 2.7 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.43 ' CB ' ' HD3' ' A' ' 91' ' ' ARG . 83.2 mt -50.53 179.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' O ' ' NH2' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -162.59 -48.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -69.35 88.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.5 mt-10 -40.39 -31.31 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -65.54 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.01 -44.86 83.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.488 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 10.4 mtm180 -54.22 -42.3 69.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 84.2 m-20 -66.99 -49.19 66.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -49.45 -49.47 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -72.88 -55.84 6.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.498 HG23 ' CE1' ' A' ' -3' ' ' PHE . 26.0 mt -39.42 -30.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.45 ' CG2' ' HA3' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -83.88 -50.36 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 94' ' ' LEU . 54.3 t80 -63.76 -49.88 71.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -50.77 -40.83 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -35.96 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' GLU . 14.4 ttmm -82.25 -44.17 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HB3' ' CG2' ' A' ' 20' ' ' VAL . . . -40.23 -41.24 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -27.81 17.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 100' ' ' LYS . 7.3 pt-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 8.1 t80 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.483 0.182 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -118.64 138.14 52.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.05 156.07 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -138.93 -63.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 3.2 p 79.88 106.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 110.035 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.15 67.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.55 51.27 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.72 59.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.98 -49.03 1.52 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -61.87 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.739 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -28.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -80.93 -76.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 12' ' ' THR . 58.1 t80 -39.59 -53.4 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.9 tptt -39.92 -29.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.561 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -122.56 127.31 49.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.561 ' CB ' ' O ' ' A' ' 12' ' ' THR . 2.0 mmt180 89.26 19.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.4 m -155.56 -64.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.6 mp -43.64 -37.32 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -45.78 -25.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 28' ' ' VAL . 99.3 m -117.87 -60.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 126.904 3.24 . . . . 0.0 108.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -100.58 149.35 23.82 Favored 'General case' 0 C--N 1.382 1.993 0 O-C-N 118.109 -2.869 . . . . 0.0 115.122 -163.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.7 p -124.91 124.48 42.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 111.096 -2.774 . . . . 0.0 110.408 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 33' ' ' HIS . 2.5 p -85.64 -7.06 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 3.4 mt-10 -77.47 156.11 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.601 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -71.62 179.26 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.73 58.58 5.35 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.17 118.75 5.96 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.92 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 27.0 m-70 72.44 126.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.547 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 -100.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.498 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 82.9 t -87.23 -34.56 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.51 161.79 23.68 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.47 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.99 134.31 17.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.556 1.819 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 2.4 m120 -47.46 119.15 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 33' ' ' HIS . 22.5 mt -66.82 -48.27 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.606 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -37.51 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.67 -20.6 4.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.692 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.8 pp -66.21 -166.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 0.777 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 2.6 m-85 57.92 107.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.46 4.66 8.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 34.9 mmt180 -150.28 -168.22 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.507 ' CG ' HD11 ' A' ' 58' ' ' LEU . 1.5 m80 -101.3 174.44 5.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.406 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 57.7 p -49.25 131.61 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 95.05 78.51 1.42 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.426 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 10.5 mt-30 -111.5 23.35 14.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.71 137.65 53.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -114.39 -11.47 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.5 3.77 37.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -123.25 128.78 50.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -75.05 127.47 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 5.2 m-85 -104.13 -172.09 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 p -117.79 -171.39 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.1 24.32 10.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.85 -56.74 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' LYS . 36.3 t-20 -59.92 -73.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 52' ' ' ASN . 20.6 mt -39.78 -33.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -86.46 46.54 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -129.55 -45.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.49 32.61 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.58 HG12 ' CZ2' ' A' ' 59' ' ' TRP . 2.7 p -75.5 92.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.507 HD11 ' CG ' ' A' ' 39' ' ' HIS . 3.9 tp -64.78 99.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CZ2' HG12 ' A' ' 57' ' ' VAL . 45.1 m95 -61.0 114.92 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.026 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' C ' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -136.79 -66.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -175.93 -76.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -59.06 -46.52 88.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -54.02 -56.09 21.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.62 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 3.5 tpp -48.69 -36.2 15.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 5.8 t -57.88 -33.57 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.02 -50.33 29.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.4 ' CD1' ' HH2' ' A' ' 59' ' ' TRP . 56.4 t80 -42.89 -42.06 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' THR . 20.7 mt -74.54 -170.36 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 70' ' ' ASN . 0.5 OUTLIER 77.55 -53.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' N ' ' CG2' ' A' ' 69' ' ' THR . 1.8 m-20 -148.6 82.15 7.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.031 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -42.99 -57.31 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.46 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 79.2 mt -111.52 97.93 38.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 93.05 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.34 39.89 0.46 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 8.2 t -110.57 112.27 24.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -44.87 -26.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 78' ' ' THR . 21.1 ttt -57.13 90.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.1 72.47 9.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 11.2 t80 -117.35 106.92 13.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.06 -55.39 6.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.568 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 113.01 131.39 5.48 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -71.42 -25.5 62.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.78 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 50.68 36.96 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.167 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -127.18 71.14 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -38.34 -44.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.93 -58.12 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.61 -37.79 87.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 88' ' ' GLU . 19.0 mtm180 -60.19 -42.26 94.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -50.41 -38.06 41.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -67.75 -53.87 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.546 ' CD1' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -55.87 -63.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.438 HD12 ' CB ' ' A' ' 65' ' ' SER . 70.2 mt -40.08 -40.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.07 -50.24 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 94' ' ' LEU . 60.6 t80 -71.13 -40.68 71.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' CD1' ' CD2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -53.79 -49.31 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -44.66 -37.94 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -86.73 -51.75 5.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.454 ' CB ' HG23 ' A' ' 20' ' ' VAL . . . -44.27 -37.5 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.6 m -92.01 -26.9 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' LYS . 15.7 pt-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.489 0.185 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . 0.416 ' CB ' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -112.03 131.44 55.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -81.91 156.33 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.447 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . -137.66 -134.6 3.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -157.17 172.28 18.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.952 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.37 54.03 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -172.42 59.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 93' ' ' ASP . . . -90.88 -40.26 5.61 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.41 -55.99 5.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -38.78 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.489 ' CD1' ' CG ' ' A' ' 90' ' ' ASP . 1.0 OUTLIER -61.05 -75.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.67 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 51.6 t80 -44.17 -25.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -52.8 -53.91 41.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.1 p -125.02 30.33 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -144.76 40.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER 171.53 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.284 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -45.92 -36.37 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -49.75 -22.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.25 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 80.2 m -121.34 -60.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 126.853 3.216 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.534 ' CE1' HD13 ' A' ' 32' ' ' LEU . 93.0 m-70 -104.43 154.4 19.91 Favored 'General case' 0 C--N 1.382 1.979 0 O-C-N 118.114 -2.866 . . . . 0.0 115.142 -163.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.7 p -120.4 87.95 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 111.108 -2.769 . . . . 0.0 110.379 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.565 HG13 ' CE2' ' A' ' 10' ' ' PHE . 3.4 p -48.45 -36.52 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.6 mt-10 -43.48 166.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -86.17 159.4 19.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.87 57.46 3.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.98 143.36 16.17 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.84 8.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.581 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 23.2 m-70 -53.99 116.4 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -106.32 -103.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.5 t -81.5 -37.24 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.1 170.14 22.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.97 139.13 24.01 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -39.41 155.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 18' ' ' HIS . 57.1 mt -130.53 51.53 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.601 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -59.46 -131.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 102' ' ' SER . . . -78.18 55.78 3.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.36 -152.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 0.0 109.345 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 64' ' ' MET . 3.6 m-30 56.61 115.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.84 24.18 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 48.3 mmt-85 -149.1 -173.83 4.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.568 ' CD2' HD11 ' A' ' 58' ' ' LEU . 13.3 m80 -105.44 159.86 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -38.92 131.22 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 91.58 86.04 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.465 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 29.2 mt-30 -106.35 29.76 6.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.15 125.6 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.83 -43.68 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.32 95.52 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -81.96 124.54 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.5 p -79.29 118.74 21.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.563 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 5.4 m-85 -93.35 177.2 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.5 p -93.51 179.29 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.55 22.2 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.84 -62.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -61.61 -66.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 48' ' ' TYR . 67.1 mt -43.24 -39.71 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -87.06 46.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' NZ ' ' CZ ' ' A' ' 74' ' ' TYR . 2.0 tptm -138.74 -47.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.2 33.05 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.611 ' CG1' ' CH2' ' A' ' 59' ' ' TRP . 9.8 p -73.81 98.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 39' ' ' HIS . 5.2 tp -63.32 110.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.611 ' CH2' ' CG1' ' A' ' 57' ' ' VAL . 32.1 m95 -70.72 123.21 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 7.6 t0 -127.58 -70.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 18.8 tt0 -178.08 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.473 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -90.73 -62.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.45 ' CG ' ' N ' ' A' ' 64' ' ' MET . 6.8 p-10 -40.07 -42.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -50.32 -55.47 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -47.29 -44.53 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -52.23 -43.82 64.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 12.9 t80 -73.27 -57.91 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.8 mt -42.18 -41.15 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -54.39 43.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -133.24 73.75 73.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.532 1.807 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CZ ' ' NZ ' ' A' ' 55' ' ' LYS . 38.1 t80 -38.1 -51.17 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.427 ' CD1' ' HG2' ' A' ' 55' ' ' LYS . 16.5 mm -92.97 112.14 54.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 91.02 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.38 57.18 0.8 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 78' ' ' THR . 2.7 t -98.91 109.9 22.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -27.51 19.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.3 ttt -63.06 97.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.09 75.7 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -103.03 -68.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.55 -70.58 0.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.72 156.49 7.66 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 6.4 mt -89.89 -59.41 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER 84.46 -54.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -64.54 84.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 2.3 mt-10 -40.61 -39.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -60.54 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.489 ' CG ' ' CD1' ' A' ' 9' ' ' LEU . 6.1 m-20 -62.76 -40.56 97.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CZ ' ' HG3' ' A' ' 88' ' ' GLU . 10.4 mtm180 -54.49 -40.22 68.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.416 ' ND2' ' CB ' ' A' ' -2' ' ' LYS . 95.9 m-20 -65.21 -53.18 48.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.463 ' HB3' ' CA ' ' A' ' 6' ' ' GLY . 50.7 m-20 -53.33 -49.26 67.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.454 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -59.06 -61.58 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.8 mt -49.53 -42.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -44.59 -48.81 10.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.401 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -89.72 -37.9 14.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -57.35 -32.77 67.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 21.8 ttpp -36.8 -34.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -126.14 -62.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.525 ' O ' ' CG2' ' A' ' 20' ' ' VAL . . . 76.05 -5.47 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.601 ' OG ' ' CE1' ' A' ' 33' ' ' HIS . 1.5 t -94.17 -44.62 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.489 ' CG ' ' N ' ' A' ' -2' ' ' LYS . 11.1 t80 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.475 0.179 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . 0.489 ' N ' ' CG ' ' A' ' -3' ' ' PHE . 0.1 OUTLIER -127.32 131.06 50.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -92.28 156.05 17.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 169.93 71.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -129.43 -71.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.046 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 5' ' ' LYS . . . 40.0 -156.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 72.45 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 3' ' ' ALA . 56.6 tttt -170.93 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.55 -26.91 23.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.625 ' CB ' ' CE1' ' A' ' 97' ' ' TYR . . . -45.34 -36.52 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -24.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -65.42 -76.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CE2' ' HB ' ' A' ' 20' ' ' VAL . 40.6 t80 -42.26 -38.19 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.47 -39.02 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.6 p -131.34 155.42 47.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 75.98 9.83 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 m -151.0 -62.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.17 -38.69 12.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -51.09 -22.82 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.352 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.47 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 83.2 m -113.69 -59.55 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 126.889 3.233 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.515 ' CG ' HD12 ' A' ' 32' ' ' LEU . 96.9 m-70 -105.34 147.38 28.23 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 118.138 -2.852 . . . . 0.0 115.082 -163.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.5 p -110.62 102.43 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.38 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.56 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 7.7 p -50.57 -46.56 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -50.38 164.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.534 ' HD3' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -89.36 178.91 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.12 54.1 3.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.68 148.34 19.21 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.33 21.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.566 1.824 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 34.5 m-70 70.53 133.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -117.67 -96.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 92.8 t -89.72 -23.94 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.68 167.81 25.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.5 36.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 3.7 t-20 -61.26 148.35 41.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.515 HD12 ' CG ' ' A' ' 18' ' ' HIS . 14.0 mt -116.69 32.85 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CE1' ' HD3' ' A' ' 22' ' ' LYS . 12.3 t-80 -70.17 112.67 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' N ' ' OG ' ' A' ' 102' ' ' SER . . . 45.61 89.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -112.08 -32.24 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' N ' HG12 ' A' ' 35' ' ' ILE . 47.1 m-85 -61.89 74.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 156.21 -22.57 0.51 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 11.0 mmt85 -94.35 171.75 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.491 ' CE1' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -97.77 153.59 18.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' HIS . 94.7 p -37.17 120.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.562 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 89.04 110.5 1.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.421 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 29.9 mt-30 -139.26 27.67 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.33 129.41 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -112.6 90.57 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.67 -46.49 1.0 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 10.9 t80 -74.9 123.64 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 0.801 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.445 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 60.1 p -59.27 132.81 55.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -107.98 -178.41 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -96.36 163.86 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.57 21.94 8.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -111.37 -50.78 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.4 t-20 -66.68 -70.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.44 HD13 ' CB ' ' A' ' 48' ' ' TYR . 36.3 mt -39.35 -33.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' ASN . 15.4 mmtp -86.57 46.39 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -141.49 -47.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 56.97 85.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.469 ' CG1' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -129.83 101.31 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.2 tp -62.94 78.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' LEU . 56.2 m95 -32.31 133.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 107.992 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -122.81 -72.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -163.4 -70.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.516 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -70.32 -29.78 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 65' ' ' SER . 3.1 t30 -47.07 -72.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 33.3 ttm -39.77 -28.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -64.34 -51.97 60.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 63' ' ' ASN . 2.7 tp10 -47.05 -48.01 22.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.792 ' CE1' ' CD2' ' A' ' 74' ' ' TYR . 25.0 m-85 -75.08 -45.91 38.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 64' ' ' MET . 9.9 mt -48.77 -24.69 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.86 -28.22 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' TYR . 10.8 t-20 -146.85 71.03 12.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tttp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.792 ' CD2' ' CE1' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -60.02 -50.46 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.962 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.2 mt -94.11 111.82 54.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.433 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.02 108.77 2.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.33 53.27 3.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 78' ' ' THR . 5.6 t -91.46 108.43 19.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -46.78 -25.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.412 ' N ' ' C ' ' A' ' 78' ' ' THR . 16.0 ttt -57.84 91.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.01 81.59 8.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -120.08 134.13 55.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -48.57 -60.35 5.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.42 118.77 2.75 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 mt -56.66 -167.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -170.34 -39.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 6.9 mmmm -73.7 92.77 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -34.67 -61.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -57.39 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.46 -35.47 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 88' ' ' GLU . 3.1 mtm180 -73.21 -39.62 65.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -62.6 -46.98 85.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -53.72 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 98' ' ' LEU . 12.7 tp -46.56 -65.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.424 ' CD1' ' O ' ' A' ' 91' ' ' ARG . 19.2 mt -40.27 -31.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -79.48 -50.79 10.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.625 ' CE1' ' CB ' ' A' ' 7' ' ' ALA . 46.5 t80 -64.1 -48.32 76.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -52.41 -48.95 65.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -45.61 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -74.38 -48.34 28.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.04 -43.42 60.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.368 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -66.69 -24.01 66.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.496 ' CZ ' HG23 ' A' ' 95' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.499 0.19 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -60.65 123.79 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 1' ' ' GLY . . . -81.98 153.54 26.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.432 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . 39.23 93.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -128.98 42.21 3.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.006 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' SER . . . -37.91 102.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 1.5 mttp -154.03 43.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 88.38 54.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.95 -41.73 4.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 97' ' ' TYR . . . -54.95 -55.39 31.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -18.36 16.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.427 HD21 ' CD2' ' A' ' 94' ' ' LEU . 2.8 tt -70.25 -76.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 62.8 t80 -40.37 -44.59 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.2 tppt? -40.05 -35.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.7 p -126.2 154.09 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 73.31 10.42 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.1 m -153.98 -68.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.69 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -41.16 -45.55 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -39.08 -29.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.477 ' SG ' ' CG1' ' A' ' 28' ' ' VAL . 72.3 m -106.42 -56.31 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 126.842 3.211 . . . . 0.0 108.266 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -104.29 175.96 5.31 Favored 'General case' 0 C--N 1.381 1.968 0 O-C-N 118.179 -2.826 . . . . 0.0 115.091 -163.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.19 141.85 32.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.378 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -93.94 -40.42 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.03 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 1.7 tttm -105.34 155.83 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.85 -38.28 3.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' ND2' ' A' ' 31' ' ' ASN . . . -37.69 135.03 0.99 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.58 7.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 27.6 m-70 -93.6 133.12 37.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.633 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -119.8 -99.22 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.477 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 76.6 t -94.38 -24.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.59 158.14 25.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.01 145.61 31.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -57.17 128.25 36.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.9 mt -84.04 -63.4 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 0.8 OUTLIER 70.15 -131.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.574 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -93.78 60.69 2.05 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.63 -147.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' A' ' 35' ' ' ILE . 62.6 m-85 57.05 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.07 29.88 5.62 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 8.7 mmt-85 -150.78 -176.38 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' OD1' ' A' ' 56' ' ' ASN . 1.5 m170 -105.17 163.48 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.455 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 78.9 p -47.95 130.71 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.564 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 91.39 85.67 1.45 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 37.5 mt-30 -103.88 27.48 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 0.795 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.56 131.58 8.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -95.86 -48.52 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.22 -46.67 8.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.6 t80 -69.11 133.74 48.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 0.738 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 p -77.77 119.22 20.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.564 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 6.1 m-85 -99.86 -173.81 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.1 p -115.03 -153.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.38 22.32 12.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.1 -64.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LYS . 20.9 t30 -58.53 -72.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ASN . 19.9 mt -40.03 -38.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -87.11 46.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' ASN . 11.6 tptt -139.79 -48.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.583 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 65.88 34.48 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.591 HG12 ' CH2' ' A' ' 59' ' ' TRP . 3.2 p -68.18 92.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 39' ' ' HIS . 6.9 tp -57.61 114.35 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.591 ' CH2' HG12 ' A' ' 57' ' ' VAL . 56.9 m95 -78.15 127.77 32.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -140.07 -65.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 3.0 tt0 -168.35 -72.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -57.91 -64.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -40.19 -58.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -37.81 -34.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -81.72 -45.35 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.543 ' OE2' ' CD1' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -46.48 -24.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 56.5 t80 -93.65 -59.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.491 ' CD1' ' SD ' ' A' ' 64' ' ' MET . 33.0 mt -41.56 -43.47 2.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 70' ' ' ASN . 15.3 t -59.37 -49.86 76.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.419 ' N ' ' CG2' ' A' ' 69' ' ' THR . 1.0 OUTLIER -139.73 76.26 29.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tttm . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CD1' ' OE2' ' A' ' 66' ' ' GLU . 19.4 t80 -40.11 -46.89 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.453 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 73.5 mt -114.59 92.3 28.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 82.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.05 44.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.453 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 7.1 t -112.54 114.88 27.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.428 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -23.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.7 ttt -60.1 92.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.2 76.77 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CE1' ' O ' ' A' ' 83' ' ' GLY . 16.8 t80 -105.72 145.81 30.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.452 ' O ' ' CE1' ' A' ' 82' ' ' PHE . . . -72.06 99.93 0.9 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -37.53 104.36 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.97 -170.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -169.58 -42.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -54.86 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.8 pt-20 -38.26 -59.73 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.356 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ASN . 5.9 mttp -43.42 -59.72 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.09 -32.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' GLU . 9.6 mtm180 -89.2 -40.05 13.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' -2' ' ' LYS . 97.9 m-20 -49.06 -46.67 44.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -70.41 -58.53 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 97' ' ' TYR . 3.3 tp -42.72 -69.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.496 HG23 ' CZ ' ' A' ' -3' ' ' PHE . 9.3 mt -41.96 -28.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -81.33 -45.66 15.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 54.3 t80 -72.71 -47.18 49.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -45.02 -47.66 11.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -66.1 -33.58 76.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -67.79 -55.99 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.48 85.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 75.4 m -60.36 -32.86 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.469 0.176 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 100.81 12.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -40.53 156.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -127.65 -110.26 1.59 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -167.62 153.3 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.93 176.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.77 77.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.04 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.37 -37.85 6.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -41.4 -68.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -29.22 27.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -67.03 -76.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 82.8 t80 -39.3 -43.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 10' ' ' PHE . 3.3 ttmt -40.15 -38.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' LEU . 68.7 p -124.95 151.99 44.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 10.1 mmt180 75.88 13.83 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 13' ' ' ARG . 3.3 m -156.49 -66.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.351 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.573 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.9 tp -41.75 -40.9 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -41.95 -27.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.459 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 61.6 m -113.23 -61.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 126.916 3.246 . . . . 0.0 108.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CG ' HD13 ' A' ' 32' ' ' LEU . 94.9 m-70 -96.97 157.75 15.75 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 118.14 -2.85 . . . . 0.0 115.124 -163.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.414 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 25.0 p -113.99 119.79 38.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 111.131 -2.758 . . . . 0.0 110.352 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 2.3 p -67.55 -36.59 76.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -78.13 -154.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 3.1 tttt -120.63 -42.53 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.98 63.84 0.35 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -151.98 126.58 2.08 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.56 8.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.552 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 40.8 m-70 -39.86 132.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.37 -98.86 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 56.2 t -91.79 -24.65 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.92 161.19 25.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 159.03 42.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 3.4 t-20 -61.88 146.66 49.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.521 HD13 ' CG ' ' A' ' 18' ' ' HIS . 8.4 mt -111.74 36.37 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -65.4 94.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.56 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.77 93.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -106.56 -36.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 14.6 m-85 -60.55 75.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 160.52 -25.19 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 10.4 mmt180 -96.22 172.37 8.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -100.71 155.48 17.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' HIS . 88.3 p -37.82 119.64 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 89.91 110.89 1.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 36.6 mt-30 -137.27 23.25 2.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -136.15 127.36 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -100.19 -54.62 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.64 -42.78 20.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.552 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 19.2 t80 -89.69 121.94 32.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 p -61.17 137.98 58.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -109.17 -176.08 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -97.82 161.44 13.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.3 20.15 6.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.16 -56.37 2.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 43.7 t30 -63.71 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.421 HD13 ' CB ' ' A' ' 48' ' ' TYR . 30.1 mt -41.05 -35.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -87.01 46.81 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -139.26 -51.39 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.87 86.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -133.43 103.57 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.0 OUTLIER -62.41 79.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.561 ' CE3' ' HE2' ' A' ' 64' ' ' MET . 57.8 m95 -33.98 123.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.574 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -121.34 -66.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 15.4 tt0 179.21 -36.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.7 -62.24 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.423 ' CG ' ' N ' ' A' ' 64' ' ' MET . 5.7 p-10 -41.07 -40.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.561 ' HE2' ' CE3' ' A' ' 59' ' ' TRP . 4.0 ttm -64.1 -59.45 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.8 p -46.08 -42.23 13.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -56.73 -35.81 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.557 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 6.6 t80 -83.92 -47.23 11.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.419 ' CD1' ' HG2' ' A' ' 64' ' ' MET . 82.0 mt -43.45 -42.92 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 70' ' ' ASN . 4.7 t -71.63 -44.53 64.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.411 ' N ' HG21 ' A' ' 69' ' ' THR . 12.6 t-20 -126.26 73.75 72.63 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.557 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 25.5 t80 -38.03 -49.72 1.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 55' ' ' LYS . 21.9 mm -104.84 112.44 65.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 96.57 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.55 50.38 1.31 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.7 t -90.99 113.22 25.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 110.376 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -20.84 24.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.2 ttt -67.59 97.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.62 76.9 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -114.05 146.48 40.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.87 104.67 2.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.53 118.11 1.34 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 7.7 mt -66.25 -50.72 62.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER 51.5 31.36 7.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.489 ' N ' ' HE ' ' A' ' 91' ' ' ARG . 29.6 mmtt -127.45 86.02 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 2.4 mt-10 -38.41 -32.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -51.91 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.91 -55.64 12.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.489 ' HE ' ' N ' ' A' ' 87' ' ' LYS . 30.4 mtm180 -38.97 -48.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 78.8 m-20 -60.08 -56.85 16.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -49.63 -55.2 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.1 tp -46.34 -67.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.2 mt -40.47 -52.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 109.335 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -44.08 -50.61 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 101' ' ' ALA . 9.8 t80 -76.13 -46.99 26.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.45 -52.66 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -40.8 -48.72 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -78.11 -46.44 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.528 ' HB3' ' CE1' ' A' ' 97' ' ' TYR . . . -46.98 -49.57 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.4 p -81.77 -30.74 32.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 95' ' ' ILE . 4.1 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.515 0.198 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . 0.531 ' O ' ' CE1' ' A' ' -3' ' ' PHE . 0.0 OUTLIER -112.32 168.68 9.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -67.23 160.78 26.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 96' ' ' THR . . . -123.43 100.8 0.67 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.9 t -39.27 -34.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.71 46.12 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.69 14.22 11.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.449 ' NZ ' ' OD2' ' A' ' 93' ' ' ASP . 9.3 pttp -177.2 43.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.23 -51.64 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.18 -63.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.58 -22.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -67.23 -77.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.694 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 10.8 t80 -41.22 -37.0 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -51.75 -38.8 56.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -126.79 128.26 46.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.591 ' CB ' ' O ' ' A' ' 12' ' ' THR . 2.5 mmt180 91.2 16.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 84.1 m -157.54 -74.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.694 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 tp -44.43 -42.11 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -38.86 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.467 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 86.0 m -110.92 -57.17 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 126.8 3.191 . . . . 0.0 108.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.563 ' CD2' HD13 ' A' ' 32' ' ' LEU . 97.8 m-70 -103.9 176.19 5.23 Favored 'General case' 0 C--N 1.381 1.938 0 O-C-N 118.179 -2.826 . . . . 0.0 115.077 -163.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.452 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -144.19 122.98 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.419 -179.393 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.464 HG23 ' CB ' ' A' ' 101' ' ' ALA . 8.7 p -78.61 -38.45 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.2 mt-10 -42.86 165.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.534 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 52.0 tttt -72.4 -76.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.12 58.61 0.57 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.52 124.22 8.17 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.63 15.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 46' ' ' TYR . 43.9 m-70 -63.06 124.45 21.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -110.0 -102.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 78.3 t -81.6 -24.64 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.17 174.78 25.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.97 154.04 42.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -53.63 153.63 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 18' ' ' HIS . 74.9 mt -121.49 46.55 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -60.08 -128.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.39 58.34 4.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -68.8 -37.27 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.584 0.814 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.512 ' CE1' ' HE2' ' A' ' 64' ' ' MET . 13.7 m-85 -60.82 76.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 149.0 -17.93 1.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -94.88 -177.02 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -112.25 155.66 23.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.601 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.452 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 94.2 p -38.87 126.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 79.67 108.5 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -136.44 10.1 3.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 48' ' ' TYR . . . -100.03 142.02 32.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.61 -72.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.98 -35.5 32.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.469 1.105 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 2.5 t80 -78.98 129.65 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 p -72.23 -26.05 61.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.2 OUTLIER 64.9 -170.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.3 p -98.78 149.3 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.46 14.76 12.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.15 -40.81 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -79.08 -51.28 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 70.6 mt -52.98 -39.99 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.242 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -86.56 46.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -137.76 -46.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.599 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 76.8 32.39 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.572 HG12 ' CH2' ' A' ' 59' ' ' TRP . 3.4 p -71.22 91.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 39' ' ' HIS . 4.9 tp -67.38 96.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.572 ' CH2' HG12 ' A' ' 57' ' ' VAL . 22.3 m95 -59.1 145.19 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 1.3 t0 -145.98 -61.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' HG2' ' CG2' ' A' ' 95' ' ' ILE . 0.7 OUTLIER -178.73 -77.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -61.04 -37.7 83.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.419 HD22 ' CG2' ' A' ' 57' ' ' VAL . 10.3 t30 -53.29 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.512 ' HE2' ' CE1' ' A' ' 36' ' ' PHE . 2.3 ttm -36.67 -50.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.439 ' O ' ' NH2' ' A' ' 91' ' ' ARG . 14.4 t -42.07 -50.19 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -57.57 -41.12 80.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 75' ' ' ILE . 3.3 t80 -75.34 -26.85 58.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' MET . 94.5 mt -65.45 -46.69 78.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.461 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 3.4 t -68.08 -43.14 79.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.417 ' N ' HG21 ' A' ' 69' ' ' THR . 11.9 t-20 -129.43 71.29 82.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CD2' HG13 ' A' ' 75' ' ' ILE . 87.7 t80 -37.49 -52.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 67' ' ' TYR . 9.6 mt -111.28 107.41 57.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 85.07 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.9 42.14 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 78' ' ' THR . 1.1 t -98.87 113.54 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -62.02 -14.4 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.4 ttt -59.98 94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.11 64.46 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -105.43 144.74 31.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.31 104.01 1.99 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 69' ' ' THR . . . -42.72 113.07 0.56 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.58 -171.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -162.72 -51.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -54.23 90.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -44.32 -27.15 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -69.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.86 -49.27 77.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.492 ' O ' ' CD1' ' A' ' 95' ' ' ILE . 61.5 mtp180 -44.19 -41.29 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' -2' ' ' LYS . 78.4 m-20 -72.99 -63.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.449 ' OD2' ' NZ ' ' A' ' 5' ' ' LYS . 68.8 m-20 -42.1 -48.55 4.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.418 HD21 ' CD2' ' A' ' 9' ' ' LEU . 9.5 tp -56.71 -69.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.568 HG23 ' CE1' ' A' ' -3' ' ' PHE . 18.4 mt -39.71 -50.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.459 ' CB ' ' HA3' ' A' ' 1' ' ' GLY . 0.7 OUTLIER -45.2 -49.84 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -76.95 -47.64 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -54.39 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 103' ' ' GLU . 7.5 tmtt? -47.53 -43.99 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -71.35 -50.1 35.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 20' ' ' VAL . . . -52.73 -54.33 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 t -73.5 -26.75 61.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' LYS . 18.7 pt-20 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 95' ' ' ILE . 2.3 t80 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.502 0.191 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 131.0 35.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.39 155.09 24.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -109.39 -26.14 5.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 86.09 -72.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 110.008 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.98 -169.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.29 50.28 16.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -176.06 -39.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.82 -34.17 7.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.75 -61.61 2.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -23.03 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -70.55 -79.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 67.5 t80 -38.76 -44.54 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -39.6 -35.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.6 p -128.71 150.47 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 9.0 mmt-85 75.54 9.07 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.66 -65.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.491 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.8 mp -43.8 -38.19 3.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 13' ' ' ARG . 5.7 pt20 -45.99 -25.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.467 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 84.1 m -120.01 -60.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 126.829 3.204 . . . . 0.0 108.305 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' CD2' HD12 ' A' ' 32' ' ' LEU . 97.7 m-70 -100.2 153.06 19.57 Favored 'General case' 0 C--N 1.381 1.937 0 O-C-N 118.121 -2.862 . . . . 0.0 115.129 -163.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.448 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 19.0 p -123.72 93.56 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 111.116 -2.766 . . . . 0.0 110.357 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 101' ' ' ALA . 7.7 p -53.77 -35.82 28.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -39.14 159.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 7.4 ttmm -65.84 -76.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.63 55.06 2.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.53 121.74 6.35 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 108.07 2.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 35.2 m-70 -39.24 132.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -116.69 -101.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 53.7 t -78.4 -26.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.67 -178.79 18.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 166.86 28.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -68.24 156.0 38.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD12 ' CD2' ' A' ' 18' ' ' HIS . 59.9 mt -127.64 48.67 2.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 102' ' ' SER . 0.9 OUTLIER -60.67 -126.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.582 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.471 ' CA ' ' HB3' ' A' ' 102' ' ' SER . . . -82.45 56.48 5.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -59.08 -158.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CE1' ' HE3' ' A' ' 64' ' ' MET . 25.6 m-85 56.98 116.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.1 22.72 5.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 16.4 mmt85 -148.39 -174.92 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.508 ' CD2' HD11 ' A' ' 58' ' ' LEU . 2.4 m170 -102.16 152.12 21.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.584 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.441 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 4.6 p -38.77 117.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.576 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 106.78 94.25 2.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 65.0 mt-30 -114.77 33.09 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.55 126.49 10.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.06 -55.76 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.64 -41.26 34.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 20.4 t80 -83.52 122.81 29.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 0.794 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.8 p -63.94 141.24 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 2.1 m-85 -116.32 -176.02 2.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -98.74 176.52 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.53 21.73 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.53 -55.41 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' LYS . 51.9 t30 -60.69 -68.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -40.47 -38.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -86.99 46.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -133.63 -46.75 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.4 23.93 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.583 HG12 ' CZ2' ' A' ' 59' ' ' TRP . 2.6 p -63.85 91.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.508 HD11 ' CD2' ' A' ' 39' ' ' HIS . 4.2 tp -67.49 93.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 41.5 m95 -54.03 115.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 107.957 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.28 -64.21 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.56 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 25.0 tt0 -178.44 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 65' ' ' SER . 1.3 m-80 -98.27 -60.36 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 64' ' ' MET . 6.7 p-10 -39.78 -33.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.604 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 4.0 tpp -73.72 -49.36 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.458 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 60.2 p -55.17 -42.8 73.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -31.8 70.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 2.6 t80 -81.67 -48.96 11.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' TYR . 73.6 mt -40.51 -42.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 70' ' ' ASN . 6.1 t -74.98 -40.4 60.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' TYR . 12.0 t-20 -128.14 72.68 79.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HA ' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -42.07 -53.4 3.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.479 HD11 ' CE2' ' A' ' 67' ' ' TYR . 67.9 mt -109.83 100.36 42.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 107.36 2.47 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 35.88 2.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.43 1.081 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 78' ' ' THR . 2.2 t -95.62 115.43 27.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -18.93 16.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.9 ttt -57.3 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.93 71.78 10.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 4.2 t80 -109.54 -55.65 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' THR . . . 103.14 -54.31 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 111.97 152.66 11.98 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.3 mt -71.14 -108.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 4.5 mtmt 164.79 -48.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -75.03 100.18 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 91' ' ' ARG . 2.7 mt-10 -53.89 -28.33 35.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -47.15 -61.06 2.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.32 -40.84 95.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.238 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 88' ' ' GLU . 8.8 mtm180 -56.52 -41.21 76.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.48 -44.74 89.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -61.71 -52.05 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -60.41 -57.57 12.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' -3' ' ' PHE . 42.1 mt -39.63 -37.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -50.25 73.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 94' ' ' LEU . 20.3 t80 -77.59 -36.69 51.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -65.94 -31.7 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.486 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 21.8 tttm -34.41 -37.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -126.0 -60.53 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.519 ' O ' ' CG2' ' A' ' 20' ' ' VAL . . . 80.61 -14.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.564 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 16.6 p -85.57 -43.65 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 110.03 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.702 ' CZ ' ' CB ' ' A' ' -1' ' ' ALA . 1.3 t80 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.486 0.184 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' -1' ' ' ALA . 2.8 mmtt -90.55 34.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . 0.702 ' CB ' ' CZ ' ' A' ' -3' ' ' PHE . . . -37.12 154.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . 96.84 124.17 4.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER 157.69 93.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 0.0 110.062 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.35 63.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 2' ' ' SER . 24.3 tttt -103.93 -136.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 56.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.15 -46.84 2.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 97' ' ' TYR . . . -63.46 -61.08 2.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -21.4 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 94' ' ' LEU . 2.6 tt -65.16 -77.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 17.1 t80 -45.57 -34.02 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.63 -43.59 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.606 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -125.28 128.19 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.606 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.1 OUTLIER 92.92 16.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 63.2 m -155.82 -71.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.686 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.4 tp -45.19 -39.08 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -41.88 -27.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 73.0 m -110.54 -58.61 2.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 126.83 3.205 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -102.9 160.76 14.32 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 118.165 -2.834 . . . . 0.0 115.077 -163.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.443 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 12.2 p -123.33 115.13 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 111.071 -2.786 . . . . 0.0 110.423 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 101' ' ' ALA . 7.7 p -65.52 -32.35 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.76 -179.79 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 7.0 tttt -101.08 -51.82 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.91 60.42 3.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.23 127.88 5.44 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.3 9.22 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.518 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 33.2 m-70 -45.37 133.98 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -114.15 -102.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 55.6 t -81.07 -24.67 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.14 178.7 20.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 165.39 31.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.443 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 2.3 m120 -81.19 119.62 23.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.51 -66.27 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.52 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.9 OUTLIER 73.09 -129.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.559 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' H ' ' CG ' ' A' ' 33' ' ' HIS . . . -98.55 61.62 0.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.449 HG13 ' CE ' ' A' ' 64' ' ' MET . 0.1 OUTLIER -62.55 -139.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 61' ' ' GLU . 20.3 m-85 49.59 100.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 120.45 -26.23 7.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.432 1.082 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 9.2 mmt180 -93.37 170.82 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.555 ' CE1' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -94.31 151.47 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.634 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' HIS . 93.1 p -37.55 134.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 82.93 95.86 0.55 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 77.2 mt-30 -119.44 29.25 7.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.11 127.92 40.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -110.33 100.98 9.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 136.9 -51.69 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.518 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 11.3 t80 -65.23 124.19 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.47 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 11.8 p -55.71 130.66 44.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.532 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -109.27 -179.28 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -100.87 167.68 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.19 22.52 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.84 -56.06 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 53' ' ' ILE . 4.9 t-20 -60.75 -77.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.462 HD13 ' CB ' ' A' ' 48' ' ' TYR . 14.4 mt -39.46 -33.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -85.57 45.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -145.92 -47.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 54.85 89.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG1' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -128.87 102.43 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 39' ' ' HIS . 1.6 tp -63.1 78.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.602 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 60.1 m95 -32.29 133.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.19 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 29.0 tt0 175.65 -34.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -96.04 -59.11 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.594 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 25.8 p-10 -45.76 -47.78 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.602 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 16.8 tpp -45.03 -35.76 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' GLU . 14.5 p -68.95 -49.79 54.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.43 ' O ' ' CG2' ' A' ' 69' ' ' THR . 2.0 tt0 -36.95 -43.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 63' ' ' ASN . 8.7 m-85 -79.41 -52.04 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.5 mt -42.15 -29.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.463 ' HB ' ' CZ ' ' A' ' 91' ' ' ARG . 7.6 t -91.42 -37.87 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' TYR . 9.1 t-20 -131.84 67.52 79.63 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -62.73 -42.95 99.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 54.5 mt -99.95 108.78 53.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 108.56 2.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.793 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.9 55.77 3.48 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.468 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 14.2 t -94.5 107.56 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -40.14 -30.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.452 ' N ' ' C ' ' A' ' 78' ' ' THR . 19.0 ttt -60.05 88.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.86 67.1 8.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 22.1 t80 -97.08 143.49 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -47.95 -78.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 136.7 108.45 0.9 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -86.2 130.94 34.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 50.73 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' LYS . 26.9 mmtt -132.63 85.54 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -38.79 -29.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -54.2 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' ASP . 5.4 m-20 -63.15 -53.07 59.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.463 ' CZ ' ' HB ' ' A' ' 69' ' ' THR . 56.6 mtp180 -41.0 -44.02 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.13 -45.12 94.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 96' ' ' THR . 1.0 OUTLIER -68.01 -53.54 25.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -40.51 -73.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' LEU . 11.2 mt -39.38 -31.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -78.23 -50.11 12.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.415 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 7' ' ' ALA . 90.9 t80 -63.53 -40.5 97.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -63.97 -50.62 67.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -32.88 3.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 103' ' ' GLU . 12.0 tptp -82.91 -61.72 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 20' ' ' VAL . . . -45.66 -57.13 4.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 33' ' ' HIS . 1.2 m -49.2 -26.7 3.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 100' ' ' LYS . 16.5 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.59 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 2.3 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.541 0.21 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . 0.421 ' HG2' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -63.57 124.46 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.15 155.75 27.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -113.46 -130.32 5.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -172.44 -75.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.97 35.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -146.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 58.09 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.94 -51.49 1.77 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.463 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -52.28 -62.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.5 -21.47 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -70.75 -76.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.674 ' CD2' ' CD1' ' A' ' 15' ' ' LEU . 35.3 t80 -47.49 -22.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.45 -38.24 59.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -118.54 125.07 49.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 110.36 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER 84.76 22.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 97.5 m -157.77 -71.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.674 ' CD1' ' CD2' ' A' ' 10' ' ' PHE . 1.3 mp -45.57 -36.56 4.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -46.9 -24.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.469 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 75.7 m -112.07 -58.24 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 126.865 3.222 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -105.43 158.29 16.75 Favored 'General case' 0 C--N 1.382 1.981 0 O-C-N 118.121 -2.862 . . . . 0.0 115.081 -163.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 12.1 p -131.27 124.19 29.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 111.074 -2.785 . . . . 0.0 110.38 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 21' ' ' GLU . 7.2 p -73.0 -39.87 58.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.5 mt-10 -45.2 168.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 33' ' ' HIS . 1.9 ttmt -86.97 -57.08 3.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.1 59.76 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.81 124.18 5.94 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.8 19.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.59 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 31.6 m-70 -57.42 139.31 53.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.534 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -129.98 -94.69 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 99.6 t -95.6 -30.91 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.67 157.11 22.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -75.04 133.57 16.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.4 m120 -47.28 121.11 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.53 -66.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.418 ' NE2' ' HE3' ' A' ' 22' ' ' LYS . 1.3 t-80 74.74 -136.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -87.73 59.31 4.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.32 -146.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CD2' HG12 ' A' ' 35' ' ' ILE . 51.2 m-85 56.98 114.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.041 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.63 -32.74 5.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 9.3 mmt180 -90.5 170.75 9.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.5 ' CE1' HD11 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.94 152.59 18.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' HIS . 95.6 p -38.15 137.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.554 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 82.88 91.67 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 66.9 mt-30 -116.37 27.32 9.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.16 130.55 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -96.19 -42.61 8.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.65 -46.78 24.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.59 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -71.93 130.46 41.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 0.788 . . . . 0.0 111.027 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -75.29 113.57 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 4.6 m-85 -91.28 176.13 6.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.5 p -107.46 -170.0 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.03 22.91 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.38 -51.24 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 53' ' ' ILE . 6.0 t-20 -63.65 -79.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.431 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 29.9 mt -39.57 -33.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 52' ' ' ASN . 12.3 mmtp -86.03 46.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.465 ' CD ' HG12 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -140.35 -51.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 55.47 84.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -128.63 102.76 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.508 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.6 tp -62.56 79.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 58.9 m95 -34.31 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -141.88 -68.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE2' ' CD2' ' A' ' -3' ' ' PHE . 0.5 OUTLIER -177.09 -57.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.17 -46.33 20.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -44.64 -55.96 4.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.579 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 16.8 tpp -51.91 -49.44 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.413 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 9.7 p -43.89 -43.13 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.63 -52.95 62.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.683 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 7.0 t80 -53.16 -55.73 21.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.3 mt -52.38 -37.72 57.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -50.37 74.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -141.11 76.85 21.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -37.58 -50.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 62.5 mt -114.75 91.85 27.36 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.72 2.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.0 42.44 1.53 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.405 ' O ' ' CG2' ' A' ' 78' ' ' THR . 7.4 t -110.71 114.97 28.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -48.57 -24.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 78' ' ' THR . 20.8 ttt -58.07 89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.7 65.92 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -87.44 -58.45 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 126.66 -70.28 0.5 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.98 125.07 4.51 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.14 173.78 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -143.54 45.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.9 mmmp? -132.84 92.05 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 5.8 mt-10 -38.04 -34.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -50.21 -69.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' ARG . 4.9 m-20 -65.43 -56.3 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.455 ' O ' ' CD1' ' A' ' 95' ' ' ILE . 55.8 mtm180 -38.83 -47.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 91.3 m-20 -68.55 -54.13 18.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -48.96 -49.79 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 9' ' ' LEU . 6.6 tp -46.57 -71.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.462 ' CG2' ' HG2' ' A' ' 61' ' ' GLU . 4.0 mt -39.59 -44.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.86 -51.1 70.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.463 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 56.1 t80 -70.03 -46.06 65.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -47.96 -50.65 26.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -63.76 -26.56 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' TYR . 6.8 ttpp -77.11 -63.06 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.89 82.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 50.0 m -66.26 -28.74 68.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.589 ' CG ' ' N ' ' A' ' -2' ' ' LYS . 9.6 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.52 0.2 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . 0.589 ' N ' ' CG ' ' A' ' -3' ' ' PHE . 31.3 ttmt -161.4 136.91 7.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -40.12 154.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -128.62 -142.27 5.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 91.39 6.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.56 44.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.15 6.72 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -161.18 -103.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.571 ' O ' ' CD2' ' A' ' 97' ' ' TYR . . . 113.15 30.15 2.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -159.73 -46.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.42 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -89.0 -73.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.447 ' C ' ' N ' ' A' ' 12' ' ' THR . 55.5 t80 -38.87 -43.64 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -39.48 -30.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 10' ' ' PHE . 67.7 p -133.78 154.32 51.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 75.51 9.15 3.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.1 -62.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 108.326 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.91 -39.04 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -45.55 -25.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 81.4 m -118.08 -61.38 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 126.881 3.229 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -101.16 159.81 14.93 Favored 'General case' 0 C--N 1.381 1.964 0 O-C-N 118.129 -2.857 . . . . 0.0 115.103 -163.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 p -128.99 112.78 14.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 111.093 -2.776 . . . . 0.0 110.413 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG2' ' OG ' ' A' ' 102' ' ' SER . 8.3 p -64.93 -22.2 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.7 OUTLIER -52.56 176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -98.18 -59.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 60.58 1.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.16 123.68 7.53 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.02 -9.02 20.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.437 1.756 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 30.8 m-70 85.21 134.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -114.62 -100.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 71.8 t -85.32 -24.04 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.09 171.6 23.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.41 33.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.5 m120 -80.52 118.85 22.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' GLY . 25.7 mt -61.19 -39.51 90.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 102' ' ' SER . 6.8 t60 -39.21 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 135.92 -27.36 3.05 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 36' ' ' PHE . 2.8 pp -60.08 -165.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 35' ' ' ILE . 4.1 m-30 57.25 81.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 150.47 -73.87 0.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 15.5 mmt180 -69.35 -162.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -107.28 172.57 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.601 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.1 p -40.53 137.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 81.64 90.66 0.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 24.2 mt-30 -121.37 28.13 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.84 139.14 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.13 45.81 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.28 41.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 11.4 t80 -165.83 127.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.556 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 85.3 p -61.44 135.6 57.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 1.1 m-85 -110.27 177.58 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -85.83 172.12 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.28 18.66 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.19 -43.33 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 12.1 t-20 -63.18 -78.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' ASN . 27.7 mt -38.82 -32.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 52' ' ' ASN . 59.2 mmtt -86.52 44.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' ASN . 14.5 tppt? -138.27 -56.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 73.69 83.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.492 ' CG1' ' OH ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -124.23 104.74 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.4 tp -61.65 80.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.492 ' C ' ' O ' ' A' ' 58' ' ' LEU . 56.6 m95 -35.64 111.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -117.84 -77.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 25.9 tt0 -175.51 -38.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.692 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.8 OUTLIER -87.62 -48.06 8.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.447 ' CG ' ' N ' ' A' ' 64' ' ' MET . 7.5 p-10 -51.98 -42.86 63.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.481 ' HE2' ' CE1' ' A' ' 36' ' ' PHE . 30.2 ttm -52.87 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 23.2 t -41.82 -38.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.18 -44.69 83.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.553 ' CD1' HD13 ' A' ' 75' ' ' ILE . 7.6 t80 -79.27 -31.27 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 64' ' ' MET . 64.2 mt -64.04 -50.13 69.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.48 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 10.2 t -66.85 -45.54 77.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -126.11 73.56 71.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.503 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.489 1.783 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tptp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.492 ' OH ' ' CG1' ' A' ' 57' ' ' VAL . 1.6 t80 -38.68 -48.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.553 HD13 ' CD1' ' A' ' 67' ' ' TYR . 96.3 mt -113.83 107.05 53.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.33 2.46 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.39 31.45 6.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 78' ' ' THR . 2.7 t -77.21 110.7 12.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -47.73 -28.22 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.7 ttt -60.63 87.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.16 74.25 9.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.369 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.545 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 6.4 t80 -105.64 136.64 44.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -51.56 -58.21 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.545 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 129.9 127.15 2.89 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 45.9 mt -60.84 -65.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 85.7 -65.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.2 mmpt? -59.0 95.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.1 pt-20 -34.01 -59.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 3.0 mtmt -40.45 -60.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.366 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.422 ' CG ' ' CD1' ' A' ' 9' ' ' LEU . 1.6 m-20 -48.06 -39.28 19.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.48 ' NH1' ' CB ' ' A' ' 69' ' ' THR . 13.3 mtm180 -70.75 -39.23 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.36 -61.06 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.0 -49.49 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.484 ' CD1' ' CD1' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -55.25 -66.91 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 61' ' ' GLU . 35.2 mt -49.05 -57.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 95' ' ' ILE . 0.5 OUTLIER -37.94 -54.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.382 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 44.8 t80 -72.87 -44.42 61.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD1' ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -49.8 -44.18 48.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -53.85 -20.05 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -111.94 -20.63 11.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -65.08 -59.18 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.516 ' HB3' ' CG ' ' A' ' 33' ' ' HIS . 1.2 m -168.46 49.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' SER . 7.3 pt-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.449 ' CG ' ' OE2' ' A' ' 61' ' ' GLU . 20.9 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.481 0.181 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.91 19.87 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 58.44 159.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -124.76 -40.36 0.42 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.21 146.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.996 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.84 62.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -130.11 10.14 5.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 6.4 tttt -177.13 41.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.11 -58.13 0.36 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.29 -67.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.05 -30.41 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD2' ' HG ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -68.3 -75.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 68.0 t80 -43.63 -24.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -73.1 -45.37 57.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -112.59 127.4 56.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.362 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 82.79 23.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 65.1 m -159.23 -68.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 108.249 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.6 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 tp -44.95 -35.03 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -46.08 -25.62 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.462 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 99.6 m -114.87 -59.46 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 126.883 3.23 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -103.03 158.09 16.53 Favored 'General case' 0 C--N 1.382 1.98 0 O-C-N 118.138 -2.851 . . . . 0.0 115.09 -163.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.401 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -124.45 127.6 47.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 111.104 -2.771 . . . . 0.0 110.412 -179.386 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 7.1 p -81.8 -28.92 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -48.15 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.4 ttmm -96.93 -64.76 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.89 57.61 3.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.63 134.02 10.36 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.19 13.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.467 1.772 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 32.2 m-70 -90.52 147.22 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.639 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -135.6 -93.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 65.1 t -98.35 -28.9 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.2 153.23 21.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 141.46 26.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 19' ' ' THR . 0.9 OUTLIER -49.71 137.01 16.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -103.0 19.73 18.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 16.1 t60 -82.89 61.0 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.64 48.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.66 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.6 pp -117.32 -162.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.66 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 2.3 m-85 58.11 110.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.87 2.0 55.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.48 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 5.8 mmt85 -118.93 -170.52 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.568 ' CD2' HD11 ' A' ' 58' ' ' LEU . 1.4 m170 -116.39 148.67 40.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' HIS . 95.2 p -34.58 129.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.954 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 92.07 98.56 1.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.48 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 74.8 mt-30 -139.2 26.16 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.39 131.79 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.8 70.97 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.69 -37.09 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.1 t80 -69.97 129.79 40.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.7 p -75.05 119.95 19.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.569 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 4.9 m-85 -100.41 179.06 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.0 p -113.59 178.99 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.498 ' OD1' ' CE ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -92.43 24.15 3.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -106.44 -64.45 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 55' ' ' LYS . 54.1 t30 -62.41 -67.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.3 mt -42.73 -39.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.498 ' CE ' ' OD1' ' A' ' 50' ' ' ASP . 34.1 mmtt -87.76 45.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -139.82 -55.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER 76.83 35.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.581 HG12 ' CZ2' ' A' ' 59' ' ' TRP . 8.7 p -68.33 95.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 39' ' ' HIS . 3.8 tp -64.57 99.43 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 57' ' ' VAL . 40.9 m95 -61.19 130.11 44.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 108.032 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.599 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 12.0 t70 -144.36 -65.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.449 ' OE2' ' CG ' ' A' ' -3' ' ' PHE . 28.7 tt0 -171.31 -75.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -65.22 -43.99 89.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -57.09 -55.02 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.25 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.567 ' HE3' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -56.01 -52.65 63.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 95' ' ' ILE . 79.2 p -54.71 -43.62 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -52.82 -32.16 42.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.468 ' HB2' ' CD2' ' A' ' 74' ' ' TYR . 8.4 t80 -87.34 -51.27 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -41.85 -44.21 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.0 t -66.73 -49.41 66.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -126.32 74.47 73.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.462 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -40.75 -55.15 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.467 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 64.7 mt -109.67 100.33 41.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.88 3.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.9 44.12 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 11.1 t -106.69 110.45 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 0.771 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -29.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.445 ' N ' ' C ' ' A' ' 78' ' ' THR . 21.9 ttt -57.58 90.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.76 83.32 4.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 11.6 t80 -115.38 138.12 51.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.68 -64.04 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 119.64 111.38 2.36 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.74 104.06 10.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -92.04 37.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -132.86 85.04 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -39.03 -36.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.45 -43.4 83.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -53.54 -41.02 65.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -63.11 -52.5 62.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -48.53 -56.99 6.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -52.1 -68.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 65' ' ' SER . 18.5 mt -39.64 -54.55 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -40.3 -51.1 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -79.7 -48.36 13.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -53.87 4.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' GLU . 19.9 tptp -40.35 -47.4 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLU . 9.2 ttmm -79.11 -50.63 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.25 -48.94 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m -82.95 -28.91 29.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 7.9 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -3' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' -2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.508 0.194 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' -2' ' ' LYS . . . . . 0.466 ' O ' ' CE2' ' A' ' -3' ' ' PHE . 2.9 ttmt -84.16 140.96 31.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -115.94 154.25 30.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 66.99 131.33 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.443 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 11.3 t 170.39 41.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.82 175.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.01 40.64 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 2' ' ' SER . 1.3 ptpm? 173.21 -33.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.08 -24.55 40.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.8 -60.87 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.38 -23.36 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 5.4 tt -63.65 -76.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 61.6 t80 -46.53 -33.08 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.04 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -116.14 60.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 19.1 mmt180 -145.78 -46.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -39.91 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.548 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 3.0 tp -42.66 -38.14 1.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -44.56 -29.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 m -109.35 -56.8 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 126.839 3.209 . . . . 0.0 108.279 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 30' ' ' PRO . 95.9 m-70 -103.26 157.72 16.81 Favored 'General case' 0 C--N 1.381 1.967 0 O-C-N 118.176 -2.828 . . . . 0.0 115.069 -163.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.454 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.8 p -128.88 108.57 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.123 -2.762 . . . . 0.0 110.407 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.5 p -56.36 -32.84 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 4.0 mt-10 -70.09 161.45 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.544 ' CE ' ' ND1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -90.54 -161.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.84 31.79 5.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.54 129.7 8.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.16 13.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.499 ' CE1' ' CB ' ' A' ' 43' ' ' ALA . 72.5 m-70 -51.1 111.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -93.98 -106.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.415 HG11 ' NZ ' ' A' ' 79' ' ' LYS . 93.0 t -78.22 -32.88 17.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.41 168.2 25.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.01 156.55 42.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' THR . 4.9 t-20 -71.59 152.97 42.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 mt -115.76 40.1 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.544 ' ND1' ' CE ' ' A' ' 22' ' ' LYS . 6.1 t-80 -62.62 104.13 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 102' ' ' SER . . . 48.25 95.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.509 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -114.76 -149.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.675 ' CZ ' ' CE ' ' A' ' 64' ' ' MET . 55.0 m-85 56.47 114.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.99 1.86 48.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 3.8 mmt85 -116.63 -169.85 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.791 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.562 ' CD2' HD11 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -108.34 148.17 30.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.607 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.424 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 4.0 p -41.66 117.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.44 96.08 2.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.491 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 63.2 mt-30 -137.16 9.82 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.499 ' CB ' ' CE1' ' A' ' 26' ' ' HIS . . . -72.96 -8.11 54.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ALA . 3.4 tm-20 35.24 86.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.34 -46.5 0.63 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.497 ' CD1' ' CB ' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -87.84 133.37 33.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 0.0 110.97 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' TYR . 41.4 t -82.05 7.78 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.474 ' HB2' ' CD1' ' A' ' 53' ' ' ILE . 4.6 m-85 43.41 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.4 p -97.92 -174.46 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.99 26.3 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -116.52 -55.08 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 55' ' ' LYS . 9.2 t-20 -64.75 -82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 48' ' ' TYR . 24.0 mt -38.1 -35.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' ASN . 11.4 mmtt -86.84 46.47 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -147.49 -52.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER 78.46 32.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.581 HG12 ' CH2' ' A' ' 59' ' ' TRP . 3.2 p -60.48 83.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.562 HD11 ' CD2' ' A' ' 39' ' ' HIS . 6.0 tp -63.78 92.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.581 ' CH2' HG12 ' A' ' 57' ' ' VAL . 27.8 m95 -53.99 152.72 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -157.05 -63.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -167.12 -68.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -79.91 -41.26 26.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -44.75 -53.13 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.675 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 3.4 ttm -61.68 -38.8 89.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.494 ' OG ' ' CD1' ' A' ' 95' ' ' ILE . 0.3 OUTLIER -55.58 -55.45 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -31.22 26.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.502 ' CE2' HD22 ' A' ' 68' ' ' LEU . 6.7 t80 -82.72 -58.29 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.502 HD22 ' CE2' ' A' ' 67' ' ' TYR . 59.3 mt -40.31 -44.98 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 70' ' ' ASN . 9.3 t -68.55 -44.6 74.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' TYR . 12.9 t-20 -127.64 73.62 78.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.206 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -41.96 -53.44 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mm -98.82 109.62 54.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.98 103.05 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.86 54.2 2.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 78' ' ' THR . 5.2 t -101.57 111.09 23.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.415 ' NZ ' HG11 ' A' ' 28' ' ' VAL . 42.5 tttm -49.59 -23.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.8 ttt -59.55 92.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.11 82.39 5.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -114.45 128.94 56.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.64 -60.48 4.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.42 134.38 4.03 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 9' ' ' LEU . 21.8 mt -63.42 -64.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 83.5 -51.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLU . 8.1 mmtm -71.05 84.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -38.18 -36.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -69.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 93' ' ' ASP . 2.4 m-20 -53.05 -50.26 64.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.448 ' NH1' ' OG ' ' A' ' 65' ' ' SER . 12.7 mtm105 -48.43 -42.24 31.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -58.79 -27.69 65.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -85.21 -48.57 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -40.98 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.494 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 3.5 mt -41.33 -29.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -77.78 -47.65 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' LEU . 13.5 t80 -72.46 -47.6 47.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -58.49 -53.48 57.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 3.6 tttt -51.05 -39.54 56.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -73.49 -61.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.89 -59.39 3.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.488 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 45.9 p -46.48 -25.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' THR . . . . . 0.55 ' N ' ' CE1' ' A' ' -3' ' ' PHE . 24.1 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.49 -32.85 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.603 ' CZ ' ' HA ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER -51.56 -174.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER -89.26 15.7 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . 0.603 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . 54.51 170.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -120.39 -131.91 4.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' ALA . 3.1 t 175.23 61.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.14 38.12 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . 5.5 tttm -62.0 -141.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.27 62.19 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.76 -45.66 3.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.15 -58.04 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -14.74 16.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.561 ' CD2' ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -75.41 -77.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CD1' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -35.74 -48.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' PHE . 5.1 tttm -37.53 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.6 p -95.68 52.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' O ' ' CMC' ' A' ' 104' ' ' HEC . 28.8 mmt180 -150.12 -45.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -124.27 -43.27 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.607 HD11 ' CD1' ' A' ' 10' ' ' PHE . 3.9 tp -45.57 -37.44 5.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -50.12 -22.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.6 m -118.04 -48.65 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 126.852 3.215 . . . . 0.0 108.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -112.31 176.2 5.12 Favored 'General case' 0 C--N 1.381 1.948 0 O-C-N 118.15 -2.844 . . . . 0.0 115.088 -163.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 73.1 p -147.95 108.2 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.391 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.31 -31.0 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -52.69 175.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD2' ' NE2' ' A' ' 33' ' ' HIS . 1.9 tttm -92.05 -53.67 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -47.69 -23.0 2.06 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -36.61 105.58 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -74.99 -7.16 18.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 35.8 m-70 87.31 136.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -123.44 -96.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.8 t -86.48 -23.75 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.92 168.74 24.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.512 ' CG ' ' O1A' ' A' ' 104' ' ' HEC . 18.3 Cg_endo -74.98 166.32 29.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' HA3' ' A' ' 24' ' ' GLY . 3.0 t-20 -76.48 141.77 41.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD13 ' CHB' ' A' ' 104' ' ' HEC . 39.6 mt -94.88 -61.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.414 ' NE2' ' HD2' ' A' ' 22' ' ' LYS . 1.3 t-80 66.81 -147.05 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -79.4 60.05 4.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.0 -144.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.42 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 26.2 m-85 53.89 106.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 120.53 -29.48 5.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 7.3 mmt85 -89.26 171.53 9.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' CE1' HD12 ' A' ' 58' ' ' LEU . 70.9 m80 -95.63 112.87 24.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.479 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 60.4 p 36.16 -153.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.948 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -35.06 151.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.433 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 29.7 mt-30 -141.5 27.95 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.98 126.47 44.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.33 -44.19 5.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.69 56.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 8.9 t80 -88.17 134.82 33.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.453 ' O ' ' CE1' ' A' ' 46' ' ' TYR . 84.2 p -69.31 120.38 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CE2' ' CGA' ' A' ' 104' ' ' HEC . 1.6 m-85 -98.21 -166.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.534 ' CG2' ' CGD' ' A' ' 104' ' ' HEC . 79.4 p -100.15 159.64 14.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.02 22.16 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.06 -54.1 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -69.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.438 ' CD1' ' CB ' ' A' ' 48' ' ' TYR . 20.4 mt -44.23 -34.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -85.26 46.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -141.2 -47.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.44 28.63 13.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.668 ' CG1' ' CH2' ' A' ' 59' ' ' TRP . 8.0 p -63.4 93.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.573 HD12 ' CE1' ' A' ' 39' ' ' HIS . 9.8 tp -54.04 109.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.668 ' CH2' ' CG1' ' A' ' 57' ' ' VAL . 49.3 m95 -70.92 157.45 38.15 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -167.14 -64.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.597 ' OE2' ' CZ ' ' A' ' -3' ' ' PHE . 1.3 tt0 -166.77 -77.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -57.82 -56.03 27.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 66' ' ' GLU . 7.7 t30 -41.52 -67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.462 ' HE3' ' CMA' ' A' ' 104' ' ' HEC . 0.2 OUTLIER -38.29 -56.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -56.26 -38.96 71.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -53.64 -28.59 33.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 20.8 t80 -93.87 -42.84 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.6 mt -48.28 -42.16 29.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.451 ' OG1' ' NH1' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -64.59 -60.63 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.402 ' N ' ' CG2' ' A' ' 69' ' ' THR . 3.9 m-20 -124.13 75.52 59.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.01 -29.68 7.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.462 ' CM1' ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.479 0.98 0 O-C-N 127.684 3.115 . . . . 0.0 116.584 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -66.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.068 -1.424 . . . . 0.0 109.277 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -44.95 -53.94 7.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.505 HG13 ' CE1' ' A' ' 67' ' ' TYR . 28.1 mm -87.19 113.61 54.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.47 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.77 55.12 0.75 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 78' ' ' THR . 0.8 OUTLIER -96.89 113.33 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 110.363 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -65.97 -11.24 46.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.526 ' HA ' ' C2D' ' A' ' 104' ' ' HEC . 15.9 ttt -63.42 95.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HA ' ' CM1' ' A' ' 72' ' ' M3L . . . -81.72 71.62 8.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -102.0 -51.29 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 102.42 -59.04 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.434 ' CA ' ' O ' ' A' ' 69' ' ' THR . . . 134.28 136.94 3.72 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.6 mt -73.61 -35.95 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 1.5 pttm 51.42 22.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -133.34 75.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -38.95 -32.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.332 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' LYS . 15.3 mttt -48.02 -64.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 93' ' ' ASP . 4.4 m-20 -61.95 -47.2 85.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.462 ' CZ ' ' HG3' ' A' ' 88' ' ' GLU . 6.6 mtm180 -46.73 -43.78 18.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.65 -34.81 71.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 90' ' ' ASP . 56.0 m-20 -83.05 -37.16 24.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -43.28 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.4 mp -50.01 -53.07 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -35.71 -48.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -87.26 -43.02 12.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -41.95 -58.01 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.91 -38.82 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -69.54 -57.44 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.03 -39.39 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -69.56 -25.18 63.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.592 ' CGA' ' CE2' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.13 60.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' -1' ' ' ALA . 5.6 t80 -143.34 128.56 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.19 107.46 19.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . 0.448 ' HA ' ' CE1' ' A' ' -3' ' ' PHE . . . -70.78 156.04 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -178.25 -103.23 0.17 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.142 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 3' ' ' ALA . 96.5 p 55.49 -95.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.452 ' N ' ' OG ' ' A' ' 2' ' ' SER . . . 51.16 -143.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -70.25 75.02 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.01 -34.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.76 -24.4 42.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.462 ' HB1' ' CE2' ' A' ' 97' ' ' TYR . . . -63.54 -32.43 73.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -11.45 31.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -77.09 -78.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -37.47 -50.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.5 tptt -38.49 -32.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.562 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -134.14 126.53 30.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.421 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 89.61 21.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.407 ' SG ' ' CAB' ' A' ' 104' ' ' HEC . 72.3 m -156.1 -71.77 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 108.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 10' ' ' PHE . 1.8 tp -45.99 -26.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 14' ' ' CYS . 11.2 pt20 -54.36 -27.37 35.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.465 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 95.3 m -113.43 -56.25 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 126.843 3.211 . . . . 0.0 108.294 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -104.84 151.65 23.56 Favored 'General case' 0 C--N 1.381 1.94 0 O-C-N 118.204 -2.81 . . . . 0.0 115.102 -163.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -109.25 124.87 51.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 111.05 -2.795 . . . . 0.0 110.425 -179.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.472 HG23 ' CB ' ' A' ' 101' ' ' ALA . 5.8 p -91.46 -21.79 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.8 159.97 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.627 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 3.1 tttt -78.33 162.81 26.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.64 56.3 22.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.66 126.69 8.27 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.0 -9.46 20.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.559 1.821 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.521 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 28.0 m-70 84.03 137.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.584 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -114.54 -100.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 95.6 t -85.92 -24.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.48 170.23 24.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.489 ' CG ' ' O1A' ' A' ' 104' ' ' HEC . 18.3 Cg_endo -74.98 163.21 35.83 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -68.97 136.18 52.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' HIS . 18.4 mt -89.05 -47.44 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.627 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 1.2 p-80 -38.85 103.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.613 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.96 -25.08 4.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.659 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.5 pp -60.81 -158.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.659 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 3.0 m-85 58.01 92.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 123.99 -11.92 8.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.552 1.157 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 58' ' ' LEU . 20.1 mmt-85 -112.6 174.36 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.491 ' CD2' ' CD1' ' A' ' 58' ' ' LEU . 4.9 m170 -92.88 115.18 27.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.555 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.457 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 85.6 p 39.01 -160.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -56.32 135.03 50.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' NE2' ' HD2' ' A' ' 38' ' ' ARG . 8.3 mt-30 -126.5 25.23 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.12 126.91 31.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -111.77 95.25 5.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.92 -47.59 0.86 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 47' ' ' SER . 7.8 t80 -76.07 127.52 33.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.543 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 36.7 p -53.79 128.03 28.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.956 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.56 ' CD2' HG13 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -117.41 -175.42 2.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.9 p -108.75 162.27 14.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.04 21.98 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.03 -54.38 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 54' ' ' LYS . 1.7 m-20 -65.43 -80.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 48' ' ' TYR . 31.8 mt -39.58 -32.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 52' ' ' ASN . 6.3 mmtp -85.12 46.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.53 -46.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' OD1' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 69.41 37.1 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.62 HG12 ' CH2' ' A' ' 59' ' ' TRP . 2.6 p -74.61 90.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.5 tp -51.34 116.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.62 ' CH2' HG12 ' A' ' 57' ' ' VAL . 52.4 m95 -80.96 140.9 34.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 107.988 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -153.65 -69.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 1.9 tt0 -167.67 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.429 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -53.78 -49.56 68.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.406 ' ND2' ' CE3' ' A' ' 59' ' ' TRP . 4.6 t30 -44.59 -64.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.4 ttm -43.49 -44.6 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.422 ' CB ' HD12 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -48.63 -36.73 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.004 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -75.65 -44.52 42.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.552 ' OH ' ' C1A' ' A' ' 104' ' ' HEC . 18.7 t80 -53.9 -43.02 69.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.8 mt -74.42 -176.5 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.421 ' OG1' ' NH1' ' A' ' 91' ' ' ARG . 0.4 OUTLIER 72.88 -55.37 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -134.53 66.93 71.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.51 8.17 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.467 ' CM2' ' HG3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.478 0.94 0 O-C-N 127.645 3.091 . . . . 0.0 116.578 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -100.49 -59.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.042 -1.435 . . . . 0.0 109.318 174.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CD2' HG13 ' A' ' 75' ' ' ILE . 69.5 t80 -39.54 -53.65 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.559 HG13 ' CD2' ' A' ' 74' ' ' TYR . 50.4 mt -109.4 106.4 58.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 100.73 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.88 36.56 1.24 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 78' ' ' THR . 1.2 t -100.95 114.29 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -60.84 -15.09 26.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.519 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.0 ttt -58.93 92.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' HA ' ' CM2' ' A' ' 72' ' ' M3L . . . -84.81 69.48 10.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 16.9 t80 -114.99 129.55 56.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.56 -58.26 15.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.503 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 119.28 144.88 7.47 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.7 -170.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -150.69 -58.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.6 mmmt -60.99 90.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -38.43 -36.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -47.75 -62.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 4.0 m-20 -63.23 -44.94 93.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' NH1' ' OG1' ' A' ' 69' ' ' THR . 15.6 mtm180 -50.75 -41.78 56.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -74.81 -42.15 58.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 96' ' ' THR . 90.4 m-20 -55.57 -66.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.468 ' CD2' HBB2 ' A' ' 104' ' ' HEC . 14.6 tp -39.86 -58.48 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.422 HD12 ' CB ' ' A' ' 65' ' ' SER . 87.4 mt -42.04 -45.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.8 OUTLIER -65.46 -55.01 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.462 ' CE2' ' HB1' ' A' ' 7' ' ' ALA . 40.5 t80 -56.71 -40.97 76.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -44.93 80.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.74 -46.06 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -46.23 16.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.472 ' CB ' HG23 ' A' ' 20' ' ' VAL . . . -48.87 -48.02 42.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.45 ' CB ' ' HA ' ' A' ' 33' ' ' HIS . 6.6 p -74.88 -30.72 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 1.407 ' CAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 67.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' -5' ' ' THR . 17.6 pt-20 43.72 61.62 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER -51.45 -174.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.54 20.26 10.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . 0.572 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . 58.73 158.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -115.9 -33.6 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.16 167.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 110.045 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.46 64.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -126.49 119.19 26.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER 38.26 38.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.03 -55.95 0.86 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 97' ' ' TYR . . . -55.76 -55.52 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.34 -20.46 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -67.46 -77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 58.1 t80 -41.77 -46.12 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.81 -28.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.573 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -129.75 127.26 40.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.573 ' CB ' ' O ' ' A' ' 12' ' ' THR . 1.2 mmt180 90.04 22.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 42.1 m -155.48 -67.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.3 mp -42.67 -42.04 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -42.7 -27.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 74.2 m -114.1 -59.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 126.861 3.219 . . . . 0.0 108.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -101.41 167.15 10.35 Favored 'General case' 0 C--N 1.381 1.963 0 O-C-N 118.148 -2.845 . . . . 0.0 115.087 -163.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.2 p -141.95 115.59 9.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 111.099 -2.773 . . . . 0.0 110.385 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.405 ' CG2' ' HA ' ' A' ' 102' ' ' SER . 7.0 p -73.58 -23.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -61.8 162.35 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.55 ' CD ' ' NE2' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -88.31 170.51 10.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.39 58.99 3.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.15 147.19 18.36 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.18 32.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.581 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 32.0 m-70 -77.88 111.44 13.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 -111.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.475 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 90.1 t -84.43 -30.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.76 155.0 20.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -75.03 139.08 23.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.951 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.3 m120 -49.96 118.18 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.0 mt -72.06 -67.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.55 ' NE2' ' CD ' ' A' ' 22' ' ' LYS . 1.5 t-80 73.93 -138.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.58 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -87.29 59.1 4.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.452 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.46 -149.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 51.2 m-85 55.53 100.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 127.26 -32.14 3.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.458 ' NE ' ' OE1' ' A' ' 42' ' ' GLN . 4.9 mmt180 -85.46 171.29 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -93.44 111.15 22.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.545 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.468 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 84.1 p 40.84 -162.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.531 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -48.73 130.25 22.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.458 ' OE1' ' NE ' ' A' ' 38' ' ' ARG . 9.3 mt-30 -135.02 34.5 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 44' ' ' GLU . . . -72.34 -14.22 61.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 43' ' ' ALA . 2.6 tm-20 33.61 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.83 -46.77 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 4.3 t80 -53.48 140.66 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.6 p -66.08 79.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CE2' ' O2A' ' A' ' 104' ' ' HEC . 3.4 m-85 -80.17 178.07 8.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 p -115.31 -152.2 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.74 23.34 11.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.33 -56.67 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 54' ' ' LYS . 2.5 m-20 -63.61 -82.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.58 HG13 ' CD2' ' A' ' 48' ' ' TYR . 14.8 mt -38.67 -32.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' ' C ' ' A' ' 52' ' ' ASN . 12.9 mmtt -84.12 47.86 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.6 -46.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.607 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER 59.9 32.18 21.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.67 ' CG1' ' CZ2' ' A' ' 59' ' ' TRP . 14.4 p -72.34 90.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -52.27 96.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.67 ' CZ2' ' CG1' ' A' ' 57' ' ' VAL . 51.5 m95 -58.28 145.48 37.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 108.028 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -141.49 -60.38 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' CG ' ' CG2' ' A' ' 95' ' ' ILE . 11.5 tt0 -178.71 -55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.8 OUTLIER -84.28 -56.3 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.438 ' CG ' ' N ' ' A' ' 64' ' ' MET . 1.1 p-10 -40.59 -40.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.59 ' SD ' ' CE1' ' A' ' 36' ' ' PHE . 34.7 ttm -63.51 -44.97 92.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' ASN . 11.2 t -53.95 -51.75 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -43.74 -48.55 8.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' PRO . 8.3 t80 -67.62 -48.3 67.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -45.69 -45.43 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -56.59 19.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -124.95 75.3 66.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.05 -29.45 8.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.466 HM11 ' CB ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.956 0 O-C-N 127.639 3.087 . . . . 0.0 116.597 -178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.16 -68.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.293 175.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -41.99 -39.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.42 HG13 ' CE1' ' A' ' 67' ' ' TYR . 23.8 mm -112.68 95.85 34.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 90.56 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.59 38.62 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 78' ' ' THR . 1.6 t -105.65 115.22 29.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -58.58 -17.75 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.53 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.4 ttt -57.73 91.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' CB ' HM11 ' A' ' 72' ' ' M3L . . . -84.91 84.92 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -120.82 132.31 54.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.86 -53.88 34.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.36 118.54 3.07 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.2 mt -61.73 165.11 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.46 -53.55 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' GLU . 7.4 mmmt -55.57 98.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -37.0 -63.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' ASN . 10.7 mttt -44.42 -56.24 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -44.6 -32.65 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 88' ' ' GLU . 12.8 mtm180 -79.65 -38.6 33.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' LYS . 13.7 m-20 -69.3 -34.21 74.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -69.17 -44.93 71.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' CD2' HD23 ' A' ' 9' ' ' LEU . 7.4 tp -57.0 -67.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.486 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 6.9 mt -40.7 -51.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.56 -52.13 18.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 60.8 t80 -71.28 -41.63 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' CD1' ' CMB' ' A' ' 104' ' ' HEC . 0.1 OUTLIER -55.48 -52.96 61.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -35.4 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 103' ' ' GLU . 44.3 tttm -74.49 -62.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.73 31.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.405 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 27.6 p -62.75 -25.9 68.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 100' ' ' LYS . 22.3 pt-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.598 ' O2A' ' CE2' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.83 75.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.175 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.51 176.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.76 130.87 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -71.76 155.61 40.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . -115.05 -141.07 7.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 168.47 75.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.03 52.12 5.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.3 101.57 10.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt 41.53 49.92 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.54 -45.51 2.5 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -64.36 -58.51 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.26 -26.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 8.0 tt -71.43 -77.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.596 ' CD1' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -43.15 -48.72 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 10' ' ' PHE . 3.0 ttpp -29.82 -73.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.553 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.2 m -109.48 60.61 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -146.84 -60.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HB3' ' C4B' ' A' ' 104' ' ' HEC . 0.0 OUTLIER -111.84 -35.57 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 108.314 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD11 ' CD1' ' A' ' 10' ' ' PHE . 4.5 tp -43.43 -36.86 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -48.65 -33.42 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 87.7 m -104.62 -55.44 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 126.812 3.196 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -105.03 162.77 13.08 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 118.151 -2.843 . . . . 0.0 115.15 -163.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.533 ' CG2' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -111.7 115.86 29.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 111.127 -2.761 . . . . 0.0 110.41 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.534 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 2.6 p -86.21 -30.86 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -59.51 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.659 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 2.8 ttpt -123.22 -63.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.63 56.56 2.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.26 128.28 6.12 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 159.94 40.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.537 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 16.2 m-70 -73.5 141.63 46.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.613 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -122.33 -97.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 77.0 t -89.99 -23.61 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.94 163.41 26.99 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD3' ' CGD' ' A' ' 104' ' ' HEC . 18.1 Cg_endo -75.04 159.67 40.95 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.533 ' ND2' ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER -64.67 138.42 58.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD13 ' CHB' ' A' ' 104' ' ' HEC . 18.9 mt -92.77 -47.37 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.659 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -37.86 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.584 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.5 -25.09 4.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.67 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.5 pp -60.26 -158.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.67 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 3.2 m-85 57.83 93.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 121.51 -14.17 9.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.438 1.086 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 38' ' ' ARG . 1.1 mpt_? -111.99 165.33 12.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 110.375 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.527 ' CE1' HD11 ' A' ' 58' ' ' LEU . 1.6 m80 -89.06 146.32 24.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.0 p -37.86 140.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.967 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.67 93.22 0.37 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.117 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -126.51 3.5 6.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 0.803 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.71 126.82 53.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -99.72 -48.87 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.253 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.91 -40.52 73.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.537 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 10.3 t80 -94.29 121.58 35.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 89.9 p -62.02 139.73 58.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.491 ' CE2' ' CGA' ' A' ' 104' ' ' HEC . 0.6 OUTLIER -106.4 -177.96 3.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -85.94 157.76 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.62 12.99 13.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.08 -45.88 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 55' ' ' LYS . 13.1 t-20 -60.73 -71.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.43 HD13 ' CB ' ' A' ' 48' ' ' TYR . 48.3 mt -39.79 -33.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' ASN . 6.5 mmtp -87.52 45.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -141.73 -48.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 58.39 86.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -126.21 102.57 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.527 HD11 ' CE1' ' A' ' 39' ' ' HIS . 1.1 tt -62.7 79.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.52 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 53.9 m95 -33.42 142.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.602 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 t0 -148.83 -72.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -169.39 -66.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.85 -46.6 68.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -48.1 -65.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.52 ' HG3' ' CE3' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -47.81 -52.09 20.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 t -44.59 -46.68 10.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -42.93 78.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.498 ' O ' ' CA ' ' A' ' 71' ' ' PRO . 25.4 t80 -72.66 -30.53 64.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.34 -45.88 82.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 70' ' ' ASN . 4.2 t -70.27 -44.5 68.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.421 ' N ' HG21 ' A' ' 69' ' ' THR . 11.0 t-20 -130.76 73.32 81.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.498 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 -30.96 6.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.445 ' CM1' ' HG3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.477 0.906 0 O-C-N 127.593 3.058 . . . . 0.0 116.605 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -66.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.035 -1.438 . . . . 0.0 109.299 175.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.416 ' OH ' ' CG1' ' A' ' 57' ' ' VAL . 25.4 t80 -40.27 -54.17 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.5 mt -108.4 107.91 60.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.49 4.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.27 42.53 5.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 78' ' ' THR . 5.1 t -93.68 108.97 20.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -44.44 -27.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.519 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.4 ttt -58.75 93.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.43 ' HA ' ' CM1' ' A' ' 72' ' ' M3L . . . -93.03 62.8 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -99.97 144.64 28.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -71.23 95.88 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.61 117.33 1.16 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.404 HD23 ' NH2' ' A' ' 13' ' ' ARG . 6.0 mt -69.23 179.23 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -150.86 -55.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.34 92.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' LYS . 5.2 mt-10 -44.23 -33.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -45.24 -66.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -46.51 81.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -47.51 -37.88 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -71.34 -59.85 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -44.34 -51.32 8.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 9' ' ' LEU . 11.5 tp -53.5 -67.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' LEU . 53.3 mt -39.62 -54.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -42.47 -48.76 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 100' ' ' LYS . 13.8 t80 -79.2 -45.75 19.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.78 -52.16 6.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.37 -39.45 57.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 103' ' ' GLU . 4.8 tmmm? -72.65 -44.55 61.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.471 ' HB3' ' CG2' ' A' ' 20' ' ' VAL . . . -42.49 -43.91 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -83.95 -28.25 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.526 ' CHB' HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -62.69 -43.13 99.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.246 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.59 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 6.5 t80 -177.02 95.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 101.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.57 156.15 27.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -90.88 -117.09 1.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p 176.77 -70.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.22 -178.92 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.73 54.01 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -179.01 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.91 -42.02 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.572 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -57.23 -59.34 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.13 -22.15 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -67.8 -80.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CE2' HD22 ' A' ' 15' ' ' LEU . 11.5 t80 -37.31 -39.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -45.63 -44.55 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 67.9 p -124.41 142.84 50.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' THR . 3.1 mmt180 79.95 19.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.388 ' SG ' ' CAB' ' A' ' 104' ' ' HEC . 0.1 OUTLIER -158.49 -68.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' CE2' ' A' ' 10' ' ' PHE . 13.5 mt -45.83 -43.49 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -47.43 -24.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.0 m -110.8 -56.82 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 126.831 3.205 . . . . 0.0 108.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -110.3 174.26 5.94 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 118.174 -2.828 . . . . 0.0 115.105 -163.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 20.5 p -148.41 124.01 10.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 111.078 -2.783 . . . . 0.0 110.426 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.12 -21.96 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -54.03 179.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 7.2 tttm -115.4 154.12 29.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 77.0 21.53 73.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.73 133.46 40.98 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.03 14.8 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 22.3 m-70 72.65 127.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.633 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -122.59 -99.01 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.5 t -85.94 -37.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.38 160.69 23.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.97 140.52 25.64 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 19' ' ' THR . 2.1 m120 -57.48 119.33 6.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.435 HD23 ' C3A' ' A' ' 104' ' ' HEC . 78.9 mt -70.49 -66.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.8 OUTLIER 76.69 -136.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.606 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -91.2 59.56 3.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -61.75 -142.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.427 0.722 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 60' ' ' ASP . 26.7 m-85 52.09 103.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.46 -57.0 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 18.2 mmt85 -70.54 179.32 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.582 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -105.35 121.88 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.496 ' O ' ' C ' ' A' ' 41' ' ' GLY . 51.5 p 35.81 -153.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 40' ' ' SER . . . -30.16 129.45 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.562 1.164 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.436 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 46.3 mt-30 -114.95 -0.37 13.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.25 153.67 48.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' GLY . 36.5 mt-10 -108.64 -37.58 5.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' GLU . . . -37.87 -53.69 1.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -72.8 129.2 37.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.987 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.6 p -73.45 86.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE2' ' O1A' ' A' ' 104' ' ' HEC . 3.7 m-85 -62.06 -179.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -103.26 177.61 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.74 22.22 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -115.54 -58.8 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.31 -74.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 48' ' ' TYR . 4.9 mt -41.23 -37.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -85.62 46.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 -47.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 57.68 68.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -107.66 106.0 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.582 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -57.94 81.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.562 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 43.3 m95 -39.25 135.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 107.979 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 5.8 t0 -154.35 -156.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE2' ' CD2' ' A' ' -3' ' ' PHE . 29.0 tt0 -83.49 -27.01 29.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.72 -36.95 4.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -45.84 -62.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.562 ' HG3' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -60.04 -39.53 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.474 ' OG ' ' CD1' ' A' ' 95' ' ' ILE . 16.1 m -51.21 -45.29 61.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.49 -43.67 98.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 9.5 t80 -70.12 -54.75 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.49 -38.0 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.438 ' OG1' ' NH1' ' A' ' 91' ' ' ARG . 0.7 OUTLIER -62.9 -46.73 86.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -140.1 73.01 32.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 -29.59 8.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.465 ' CM2' ' HG3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.478 0.941 0 O-C-N 127.685 3.116 . . . . 0.0 116.634 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -99.46 -64.77 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.303 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -37.59 -48.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 67' ' ' TYR . 64.8 mt -111.02 100.77 47.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 98.26 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.521 1.801 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 51' ' ' ALA . . . 119.78 35.21 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 78' ' ' THR . 1.8 t -95.6 111.11 23.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -19.19 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.527 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 14.3 ttt -59.94 95.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.43 ' HA ' ' CM2' ' A' ' 72' ' ' M3L . . . -86.86 59.58 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -97.01 -66.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.51 -65.81 0.5 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.51 148.48 7.07 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.0 mt -86.57 -169.48 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.464 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -147.17 -47.79 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -65.41 92.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.0 -32.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -46.85 -64.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.18 -47.12 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 86' ' ' LYS . 5.5 mtm180 -47.66 -44.15 26.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -70.17 -60.38 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -40.39 -45.18 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.463 ' CD2' HBB3 ' A' ' 104' ' ' HEC . 7.0 tp -54.04 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.474 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 8.4 mt -43.24 -28.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -70.54 -47.08 62.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 52.3 t80 -75.58 -44.55 42.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -55.48 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -51.33 -28.97 13.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -65.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.23 -50.83 48.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' HIS . 40.8 m -66.8 -32.13 73.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 1.388 ' CAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.26 72.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.5 ' CE1' HG23 ' A' ' 95' ' ' ILE . 9.3 t80 53.68 105.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -82.4 103.44 11.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -41.47 158.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.43 ' CA ' HG22 ' A' ' 96' ' ' THR . . . -107.77 -125.2 5.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.415 ' N ' HG22 ' A' ' 96' ' ' THR . 33.7 p -168.45 170.42 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.032 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.16 53.54 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.59 58.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -174.55 -40.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.22 -38.43 5.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.572 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -49.36 -61.48 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -16.98 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.492 ' CD2' ' CD1' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -75.59 -76.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 36.1 t80 -35.79 -47.2 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.75 -49.17 20.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -106.91 123.95 48.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 87.61 23.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.75 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.639 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 mp -46.13 -40.64 11.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -48.6 -25.41 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.7 m -110.88 -56.99 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 126.855 3.217 . . . . 0.0 108.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -108.5 176.01 5.27 Favored 'General case' 0 C--N 1.381 1.939 0 O-C-N 118.165 -2.834 . . . . 0.0 115.126 -163.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.484 ' CG2' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -139.82 135.25 32.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.091 -2.777 . . . . 0.0 110.398 -179.381 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -86.68 -39.21 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 11.1 mttt -127.74 -57.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -40.14 -33.73 0.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.23 124.37 34.93 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.595 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 44.6 m-70 -87.51 135.5 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -123.22 -98.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -95.06 -24.61 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.38 155.46 23.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.485 ' CG ' ' O1A' ' A' ' 104' ' ' HEC . 18.4 Cg_endo -74.97 145.76 31.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.484 ' ND2' ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -55.54 127.85 31.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.52 HD12 ' CHB' ' A' ' 104' ' ' HEC . 50.1 mt -85.74 -64.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER 70.87 -147.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.604 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -78.49 59.56 4.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -60.29 -143.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE1' ' CE ' ' A' ' 64' ' ' MET . 24.7 m-85 57.38 115.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.01 -31.44 6.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 13.4 mmt-85 -87.96 170.86 10.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' SER . 19.3 m80 -100.05 115.52 29.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.48 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 79.7 p 37.37 -155.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -35.21 151.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 26.2 mt-30 -141.04 28.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.54 150.66 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -109.31 -35.41 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.87 -53.27 3.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -72.85 129.36 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.3 p -64.85 81.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CE2' ' CGA' ' A' ' 104' ' ' HEC . 1.9 m-85 -67.84 -176.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 p -109.14 -176.41 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.367 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.79 22.02 16.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.69 -57.94 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -60.01 -73.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.5 mt -39.76 -38.24 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -86.94 46.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -139.75 -46.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER 69.27 21.05 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.583 HG12 ' CH2' ' A' ' 59' ' ' TRP . 2.5 p -49.74 92.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ASN . 1.7 tt -58.39 99.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.583 ' CH2' HG12 ' A' ' 57' ' ' VAL . 53.8 m95 -63.03 136.39 57.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.555 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 t70 -145.95 -153.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 95' ' ' ILE . 1.0 OUTLIER -87.65 -25.77 23.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -116.47 -42.98 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 58' ' ' LEU . 13.1 t30 -41.2 -57.44 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.598 ' CE ' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -58.62 -42.42 88.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -47.37 -40.0 16.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -49.33 61.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.465 ' CD1' HD13 ' A' ' 75' ' ' ILE . 23.8 t80 -61.28 -57.58 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.6 mt -45.09 -42.22 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.77 -60.01 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.59 75.86 72.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.456 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.02 -29.82 7.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.468 ' CM1' ' HG3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.478 0.941 0 O-C-N 127.637 3.086 . . . . 0.0 116.621 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -97.32 -63.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.033 -1.439 . . . . 0.0 109.33 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.483 ' CD2' HG13 ' A' ' 75' ' ' ILE . 75.7 t80 -37.4 -50.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.483 HG13 ' CD2' ' A' ' 74' ' ' TYR . 32.8 mt -108.8 101.57 44.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 81.97 2.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.73 44.11 0.08 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -109.49 113.95 27.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.411 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -14.16 33.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.518 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 19.1 ttt -60.29 97.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HA ' ' CM2' ' A' ' 72' ' ' M3L . . . -83.95 62.11 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -99.5 130.12 45.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -43.87 -59.76 3.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.93 111.22 2.74 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.65 169.01 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' O ' ' NE ' ' A' ' 91' ' ' ARG . 14.8 mtmm -152.78 -48.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -64.12 104.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -41.63 -31.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.84 -67.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.23 -48.2 79.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.407 ' NE ' ' O ' ' A' ' 86' ' ' LYS . 8.4 mtm180 -48.09 -42.04 27.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -68.42 -58.9 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -44.08 -54.02 5.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.492 ' CD1' ' CD2' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -56.55 -68.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.5 HG23 ' CE1' ' A' ' -3' ' ' PHE . 11.7 mt -40.4 -36.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.43 HG22 ' CA ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -66.27 -49.5 66.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 34.6 t80 -73.56 -50.8 19.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -45.21 -50.26 11.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.177 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -55.55 -35.28 65.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLU . 2.1 tmtt? -78.51 -66.2 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -45.81 -47.97 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 38.9 p -68.3 -28.43 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 100' ' ' LYS . 16.7 pt-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.59 ' CGA' ' CE2' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' THR . . . . . 0.452 ' CB ' ' OE1' ' A' ' -4' ' ' GLU . 53.4 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . 0.452 ' OE1' ' CB ' ' A' ' -5' ' ' THR . 20.6 pm0 37.38 41.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' -3' ' ' PHE . 0.3 OUTLIER -67.44 137.78 56.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -93.26 131.13 38.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -91.75 155.63 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -102.99 -38.17 2.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.94 -72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.001 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.25 32.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HG3' ' CA ' ' A' ' 1' ' ' GLY . 3.2 mmtp -69.58 -158.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.14 58.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.7 -53.6 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.561 ' HB1' ' CE2' ' A' ' 97' ' ' TYR . . . -57.25 -52.34 65.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.736 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -18.88 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -71.48 -77.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 20' ' ' VAL . 41.6 t80 -37.06 -43.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -40.21 -42.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.2 p -123.78 148.99 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 12' ' ' THR . 5.7 mmt180 77.54 8.08 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -152.31 -63.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 108.331 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.554 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.5 tp -46.94 -42.24 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -49.52 -22.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -114.3 -58.14 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 126.876 3.227 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.465 ' CE1' ' HA3' ' A' ' 29' ' ' GLY . 93.1 m-70 -109.82 170.15 8.26 Favored 'General case' 0 C--N 1.382 1.982 0 O-C-N 118.126 -2.859 . . . . 0.0 115.126 -163.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.408 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 11.7 p -135.82 113.15 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.457 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 p -73.14 -29.05 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 3.1 mt-10 -61.83 160.78 11.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.549 ' CG ' ' NE2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -69.44 -163.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.23 41.34 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.4 ' HA3' ' OD1' ' A' ' 31' ' ' ASN . . . -60.47 119.1 17.13 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.79 20.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.581 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 12.6 m-70 69.41 107.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -115.94 -98.97 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.89 -33.32 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 18' ' ' HIS . . . -138.59 161.25 25.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.47 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -75.02 143.35 28.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.56 1.821 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.7 t30 -41.88 151.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' CD1' ' CHB' ' A' ' 104' ' ' HEC . 55.8 mt -128.64 49.98 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' CG ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -47.93 90.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.606 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 24.6 49.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.723 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -38.59 120.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 5.7 m-85 -178.76 122.57 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.14 4.68 57.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.502 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 23.7 mmt-85 -121.76 176.22 5.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.786 . . . . 0.0 110.333 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.516 ' CD2' HD11 ' A' ' 58' ' ' LEU . 51.5 m80 -103.32 115.86 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.581 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.473 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 79.4 p 38.56 -158.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -56.85 126.75 42.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -120.41 50.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -128.2 131.43 48.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -98.73 -52.35 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.17 -48.7 2.12 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -79.91 122.8 27.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 110.994 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.0 p -65.51 83.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.7 ' CE2' ' CGA' ' A' ' 104' ' ' HEC . 2.0 m-85 -62.7 -173.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 111.052 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.6 p -109.79 176.48 5.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.23 22.55 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.6 -57.06 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -62.82 -77.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 48' ' ' TYR . 31.6 mt -39.25 -32.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 52' ' ' ASN . 5.9 mmtp -85.01 47.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.42 -47.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER 66.96 10.89 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.596 HG12 ' CH2' ' A' ' 59' ' ' TRP . 3.0 p -50.88 92.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' ' 39' ' ' HIS . 11.7 tp -54.83 115.96 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CH2' HG12 ' A' ' 57' ' ' VAL . 46.0 m95 -80.19 117.86 21.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 41.5 t0 -114.65 -65.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.473 ' CG ' ' CG2' ' A' ' 95' ' ' ILE . 36.0 tt0 -179.0 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ASN . 2.7 t30 -95.77 -63.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 58' ' ' LEU . 6.0 p-10 -39.87 -42.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.566 ' HE1' ' CE3' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -48.23 -49.23 33.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -49.47 76.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.61 -32.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE1' HD13 ' A' ' 75' ' ' ILE . 7.7 t80 -86.23 -50.88 6.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.8 mt -42.85 -44.23 4.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.413 HG21 ' N ' ' A' ' 70' ' ' ASN . 3.6 t -64.89 -45.32 86.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.413 ' N ' HG21 ' A' ' 69' ' ' THR . 6.6 t-20 -129.01 73.43 81.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.98 -29.6 8.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.435 ' CM1' ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.477 0.912 0 O-C-N 127.622 3.076 . . . . 0.0 116.608 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' TYR . 6.1 tttp -97.73 -66.97 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.274 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' LYS . 2.1 t80 -37.14 -48.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 67' ' ' TYR . 85.8 mt -110.21 99.73 41.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 89.98 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.87 40.36 0.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 78' ' ' THR . 0.7 OUTLIER -103.24 117.09 33.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.413 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -66.38 -10.51 44.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.525 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 12.1 ttt -59.74 95.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.435 ' HA ' ' CM1' ' A' ' 72' ' ' M3L . . . -88.3 68.69 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.51 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 20.2 t80 -124.55 153.66 41.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.16 98.71 1.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.51 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . -39.08 118.76 0.86 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.85 -56.35 14.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm 77.07 42.12 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLU . 33.0 mmtp -131.61 79.08 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.4 OUTLIER -38.19 -34.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -68.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -65.69 -55.13 19.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -42.8 -44.56 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 36.6 m-20 -53.68 -47.58 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.2 -56.67 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.451 ' CD1' HD23 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -55.24 -58.05 9.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.473 ' CG2' ' CG ' ' A' ' 61' ' ' GLU . 68.4 mt -40.47 -29.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.444 ' N ' ' C ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -87.36 -50.08 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE2' ' HB1' ' A' ' 7' ' ' ALA . 58.3 t80 -58.97 -45.3 90.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -42.3 73.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 5.0 ttpp -64.1 -13.41 47.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.15 -25.8 13.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 20' ' ' VAL . . . -49.46 -51.08 38.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.5 p -51.47 -21.61 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.7 ' CGA' ' CE2' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -100.3 -59.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' -2' ' ' LYS . 3.5 t80 -66.22 138.95 58.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . 0.6 ' O ' ' CZ ' ' A' ' -3' ' ' PHE . 1.1 tptm -88.45 161.4 17.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -86.96 163.96 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.45 ' HA3' ' CG2' ' A' ' 96' ' ' THR . . . -120.52 97.56 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -83.57 51.14 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 0.74 . . . . 0.0 109.974 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 4' ' ' LYS . . . 43.33 -164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 20.0 pttp 39.71 67.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 164.86 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.53 -41.33 5.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -59.79 -73.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.11 -29.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -65.21 -77.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.641 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 56.5 t80 -40.86 -27.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 9' ' ' LEU . 4.5 ttmt -58.18 -44.45 88.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.9 p -122.38 146.43 47.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.438 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 76.83 7.59 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.46 ' SG ' ' CAB' ' A' ' 104' ' ' HEC . 74.1 m -147.08 -66.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.641 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.5 tp -44.71 -34.86 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -48.94 -23.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.2 m -109.79 -56.1 2.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 126.795 3.188 . . . . 0.0 108.303 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -109.91 176.18 5.16 Favored 'General case' 0 C--N 1.381 1.95 0 O-C-N 118.178 -2.826 . . . . 0.0 115.127 -163.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.475 ' CG2' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -135.55 126.64 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 111.078 -2.783 . . . . 0.0 110.39 -179.392 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 4.1 p -86.6 -33.27 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.19 157.89 33.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.642 ' CD ' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -73.96 -170.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.57 59.61 1.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.28 126.57 5.43 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 124.64 8.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.7 m-70 -46.07 144.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -132.86 -94.18 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.3 t -95.74 -27.84 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.53 160.39 26.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.04 143.54 29.06 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.475 ' ND2' ' CG2' ' A' ' 19' ' ' THR . 0.6 OUTLIER -52.95 133.21 38.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 HD23 ' CMA' ' A' ' 104' ' ' HEC . 10.0 mt -102.9 24.62 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' CE1' ' CD ' ' A' ' 22' ' ' LYS . 51.4 t-80 -80.59 94.86 6.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.25 57.74 0.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.563 1.164 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.676 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.3 pp -116.0 -161.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.676 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 2.6 m-85 59.65 116.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.82 27.32 6.72 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.517 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 20.8 mmt180 -151.35 -173.63 4.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.558 ' CD2' HD11 ' A' ' 58' ' ' LEU . 5.1 m80 -106.48 155.87 19.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.454 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 77.5 p -39.56 129.4 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.593 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 102.54 76.5 1.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.517 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 20.4 mt-30 -111.44 35.13 3.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.17 134.82 28.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -110.59 91.29 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.51 -47.01 0.89 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 1.3 t80 -55.45 131.62 46.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -72.96 94.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.593 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 2.8 m-85 -77.99 175.45 10.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 p -101.7 173.97 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.51 23.21 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.33 -54.74 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 55' ' ' LYS . 24.2 t30 -63.2 -77.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 48' ' ' TYR . 15.9 mt -41.5 -34.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -87.75 43.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -141.94 -47.01 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 1.3 t-20 83.24 39.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.574 HG12 ' CZ2' ' A' ' 59' ' ' TRP . 2.7 p -72.04 88.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.558 HD11 ' CD2' ' A' ' 39' ' ' HIS . 7.0 tp -63.09 99.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 57' ' ' VAL . 43.5 m95 -62.09 118.59 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 108.007 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.563 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -136.44 -70.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -169.15 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.476 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -61.33 -35.64 77.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.404 ' OD1' ' OH ' ' A' ' 74' ' ' TYR . 42.0 t30 -63.09 -60.96 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 36' ' ' PHE . 29.1 ttm -53.62 -42.77 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.1 t -51.48 -44.83 62.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -61.26 -37.83 84.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.576 ' CE1' HG13 ' A' ' 75' ' ' ILE . 15.4 t80 -73.27 -35.16 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.411 HD21 ' C2B' ' A' ' 104' ' ' HEC . 24.8 mt -67.72 -47.62 68.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.1 t -68.56 -44.11 75.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -130.17 73.86 80.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.496 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -30.44 7.22 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.467 1.772 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.467 ' CM2' ' HG3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.478 0.953 0 O-C-N 127.654 3.096 . . . . 0.0 116.595 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -97.09 -71.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.289 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' OH ' ' OD1' ' A' ' 63' ' ' ASN . 4.3 t80 -38.42 -49.15 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 67' ' ' TYR . 6.6 mm -102.33 107.2 52.44 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 99.97 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.446 1.761 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.8 54.0 1.58 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 78' ' ' THR . 2.8 t -106.0 115.01 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -52.22 -22.5 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.522 ' HE1' ' CHC' ' A' ' 104' ' ' HEC . 21.4 ttt -59.85 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.455 ' HA ' ' CM2' ' A' ' 72' ' ' M3L . . . -89.81 78.03 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -106.73 135.64 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -38.46 -55.13 2.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.13 104.03 2.7 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.43 ' CB ' ' HD3' ' A' ' 91' ' ' ARG . 83.2 mt -50.53 179.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' O ' ' NH2' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -162.59 -48.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -69.35 88.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.5 mt-10 -40.39 -31.31 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -65.54 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.01 -44.86 83.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.488 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 10.4 mtm180 -54.22 -42.3 69.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 84.2 m-20 -66.99 -49.19 66.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -49.45 -49.47 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -72.88 -55.84 6.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.498 HG23 ' CE1' ' A' ' -3' ' ' PHE . 26.0 mt -39.42 -30.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.45 ' CG2' ' HA3' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -83.88 -50.36 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 94' ' ' LEU . 54.3 t80 -63.76 -49.88 71.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -50.77 -40.83 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -35.96 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' GLU . 14.4 ttmm -82.25 -44.17 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HB3' ' CG2' ' A' ' 20' ' ' VAL . . . -40.23 -41.24 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -27.81 17.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 100' ' ' LYS . 7.3 pt-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 1.46 ' CAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -113.96 -59.26 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -176.04 149.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -118.64 138.14 52.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.05 156.07 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -138.93 -63.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 3.2 p 79.88 106.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 110.035 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.15 67.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.55 51.27 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.72 59.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.98 -49.03 1.52 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -61.87 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.739 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -28.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -80.93 -76.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 12' ' ' THR . 58.1 t80 -39.59 -53.4 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.9 tptt -39.92 -29.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.561 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -122.56 127.31 49.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.561 ' CB ' ' O ' ' A' ' 12' ' ' THR . 2.0 mmt180 89.26 19.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.4 m -155.56 -64.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.6 mp -43.64 -37.32 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -45.78 -25.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 28' ' ' VAL . 99.3 m -117.87 -60.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 126.904 3.24 . . . . 0.0 108.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -100.58 149.35 23.82 Favored 'General case' 0 C--N 1.382 1.993 0 O-C-N 118.109 -2.869 . . . . 0.0 115.122 -163.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.7 p -124.91 124.48 42.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 111.096 -2.774 . . . . 0.0 110.408 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 33' ' ' HIS . 2.5 p -85.64 -7.06 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 3.4 mt-10 -77.47 156.11 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.601 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -71.62 179.26 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.73 58.58 5.35 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.17 118.75 5.96 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.92 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 27.0 m-70 72.44 126.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.547 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 -100.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.498 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 82.9 t -87.23 -34.56 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.51 161.79 23.68 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.47 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.99 134.31 17.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.556 1.819 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 2.4 m120 -47.46 119.15 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD12 ' CHB' ' A' ' 104' ' ' HEC . 22.5 mt -66.82 -48.27 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.606 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -37.51 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.67 -20.6 4.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.692 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.8 pp -66.21 -166.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 0.777 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 2.6 m-85 57.92 107.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.46 4.66 8.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 34.9 mmt180 -150.28 -168.22 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.507 ' CG ' HD11 ' A' ' 58' ' ' LEU . 1.5 m80 -101.3 174.44 5.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.406 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 57.7 p -49.25 131.61 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 95.05 78.51 1.42 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.426 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 10.5 mt-30 -111.5 23.35 14.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.71 137.65 53.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -114.39 -11.47 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.5 3.77 37.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -123.25 128.78 50.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -75.05 127.47 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.614 ' CE2' ' O2A' ' A' ' 104' ' ' HEC . 5.2 m-85 -104.13 -172.09 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 p -117.79 -171.39 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.1 24.32 10.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.85 -56.74 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' LYS . 36.3 t-20 -59.92 -73.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 52' ' ' ASN . 20.6 mt -39.78 -33.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -86.46 46.54 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -129.55 -45.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.49 32.61 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.58 HG12 ' CZ2' ' A' ' 59' ' ' TRP . 2.7 p -75.5 92.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.507 HD11 ' CG ' ' A' ' 39' ' ' HIS . 3.9 tp -64.78 99.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.582 ' CZ2' HAA2 ' A' ' 104' ' ' HEC . 45.1 m95 -61.0 114.92 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.026 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' C ' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -136.79 -66.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -175.93 -76.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -59.06 -46.52 88.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -54.02 -56.09 21.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.62 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 3.5 tpp -48.69 -36.2 15.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 5.8 t -57.88 -33.57 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.02 -50.33 29.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.4 ' CD1' ' HH2' ' A' ' 59' ' ' TRP . 56.4 t80 -42.89 -42.06 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' THR . 20.7 mt -74.54 -170.36 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 70' ' ' ASN . 0.5 OUTLIER 77.55 -53.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' N ' ' CG2' ' A' ' 69' ' ' THR . 1.8 m-20 -148.6 82.15 7.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.4 8.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.474 ' CM2' ' HG3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.478 0.962 0 O-C-N 127.711 3.132 . . . . 0.0 116.549 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -58.55 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.035 -1.439 . . . . 0.0 109.265 175.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -42.99 -57.31 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.46 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 79.2 mt -111.52 97.93 38.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 93.05 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.34 39.89 0.46 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 8.2 t -110.57 112.27 24.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -44.87 -26.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.489 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.1 ttt -57.13 90.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' HA ' ' CM2' ' A' ' 72' ' ' M3L . . . -88.1 72.47 9.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 11.2 t80 -117.35 106.92 13.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.06 -55.39 6.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.568 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 113.01 131.39 5.48 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -71.42 -25.5 62.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.78 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 50.68 36.96 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.167 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -127.18 71.14 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -38.34 -44.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.93 -58.12 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.61 -37.79 87.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 88' ' ' GLU . 19.0 mtm180 -60.19 -42.26 94.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -50.41 -38.06 41.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -67.75 -53.87 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.546 ' CD1' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -55.87 -63.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.438 HD12 ' CB ' ' A' ' 65' ' ' SER . 70.2 mt -40.08 -40.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.07 -50.24 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 94' ' ' LEU . 60.6 t80 -71.13 -40.68 71.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' CD1' ' CD2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -53.79 -49.31 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -44.66 -37.94 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -86.73 -51.75 5.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.454 ' CB ' HG23 ' A' ' 20' ' ' VAL . . . -44.27 -37.5 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.6 m -92.01 -26.9 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' LYS . 15.7 pt-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.614 ' O2A' ' CE2' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' THR . . . . . 0.444 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 43.0 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.46 60.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -96.68 145.45 25.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . 0.416 ' CB ' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -112.03 131.44 55.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -81.91 156.33 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . -137.66 -134.6 3.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -157.17 172.28 18.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.952 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.37 54.03 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -172.42 59.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 93' ' ' ASP . . . -90.88 -40.26 5.61 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.41 -55.99 5.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -38.78 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' CD1' ' CG ' ' A' ' 90' ' ' ASP . 1.0 OUTLIER -61.05 -75.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.67 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 51.6 t80 -44.17 -25.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -52.8 -53.91 41.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.1 p -125.02 30.33 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -144.76 40.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER 171.53 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.284 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -45.92 -36.37 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -49.75 -22.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.25 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 80.2 m -121.34 -60.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 126.853 3.216 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.534 ' CE1' HD13 ' A' ' 32' ' ' LEU . 93.0 m-70 -104.43 154.4 19.91 Favored 'General case' 0 C--N 1.382 1.979 0 O-C-N 118.114 -2.866 . . . . 0.0 115.142 -163.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.7 p -120.4 87.95 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 111.108 -2.769 . . . . 0.0 110.379 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.565 HG13 ' CE2' ' A' ' 10' ' ' PHE . 3.4 p -48.45 -36.52 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.6 mt-10 -43.48 166.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -86.17 159.4 19.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.87 57.46 3.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.98 143.36 16.17 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.84 8.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.581 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 23.2 m-70 -53.99 116.4 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -106.32 -103.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.5 t -81.5 -37.24 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.1 170.14 22.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.97 139.13 24.01 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -39.41 155.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 18' ' ' HIS . 57.1 mt -130.53 51.53 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.601 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -59.46 -131.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 102' ' ' SER . . . -78.18 55.78 3.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.36 -152.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 0.0 109.345 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 64' ' ' MET . 3.6 m-30 56.61 115.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.84 24.18 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 48.3 mmt-85 -149.1 -173.83 4.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.568 ' CD2' HD11 ' A' ' 58' ' ' LEU . 13.3 m80 -105.44 159.86 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -38.92 131.22 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 91.58 86.04 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.465 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 29.2 mt-30 -106.35 29.76 6.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.15 125.6 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.83 -43.68 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.32 95.52 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -81.96 124.54 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.5 p -79.29 118.74 21.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.563 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 5.4 m-85 -93.35 177.2 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.5 p -93.51 179.29 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.55 22.2 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.84 -62.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -61.61 -66.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 48' ' ' TYR . 67.1 mt -43.24 -39.71 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -87.06 46.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' NZ ' ' CZ ' ' A' ' 74' ' ' TYR . 2.0 tptm -138.74 -47.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.2 33.05 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.611 ' CG1' ' CH2' ' A' ' 59' ' ' TRP . 9.8 p -73.81 98.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 39' ' ' HIS . 5.2 tp -63.32 110.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.611 ' CH2' ' CG1' ' A' ' 57' ' ' VAL . 32.1 m95 -70.72 123.21 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 7.6 t0 -127.58 -70.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 18.8 tt0 -178.08 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.473 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -90.73 -62.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.45 ' CG ' ' N ' ' A' ' 64' ' ' MET . 6.8 p-10 -40.07 -42.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -50.32 -55.47 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -47.29 -44.53 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -52.23 -43.82 64.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 12.9 t80 -73.27 -57.91 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.8 mt -42.18 -41.15 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -54.39 43.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -133.24 73.75 73.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.0 -29.48 8.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.807 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.482 ' CM1' ' HG3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.478 0.959 0 O-C-N 127.638 3.086 . . . . 0.0 116.576 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.63 -69.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.075 -1.421 . . . . 0.0 109.297 175.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CZ ' ' NZ ' ' A' ' 55' ' ' LYS . 38.1 t80 -38.1 -51.17 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.427 ' CD1' ' HG2' ' A' ' 55' ' ' LYS . 16.5 mm -92.97 112.14 54.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 91.02 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.38 57.18 0.8 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 78' ' ' THR . 2.7 t -98.91 109.9 22.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -27.51 19.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.523 ' HG3' ' C4C' ' A' ' 104' ' ' HEC . 14.3 ttt -63.06 97.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HA ' ' CM1' ' A' ' 72' ' ' M3L . . . -90.09 75.7 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -103.03 -68.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.55 -70.58 0.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.72 156.49 7.66 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 6.4 mt -89.89 -59.41 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER 84.46 -54.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -64.54 84.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 2.3 mt-10 -40.61 -39.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -60.54 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.489 ' CG ' ' CD1' ' A' ' 9' ' ' LEU . 6.1 m-20 -62.76 -40.56 97.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CZ ' ' HG3' ' A' ' 88' ' ' GLU . 10.4 mtm180 -54.49 -40.22 68.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.416 ' ND2' ' CB ' ' A' ' -2' ' ' LYS . 95.9 m-20 -65.21 -53.18 48.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' HB3' ' CA ' ' A' ' 6' ' ' GLY . 50.7 m-20 -53.33 -49.26 67.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.454 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -59.06 -61.58 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.8 mt -49.53 -42.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -44.59 -48.81 10.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.401 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -89.72 -37.9 14.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -57.35 -32.77 67.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 21.8 ttpp -36.8 -34.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -126.14 -62.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.525 ' O ' ' CG2' ' A' ' 20' ' ' VAL . . . 76.05 -5.47 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.601 ' OG ' ' CE1' ' A' ' 33' ' ' HIS . 1.5 t -94.17 -44.62 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.523 ' C4C' ' HG3' ' A' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -149.67 68.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.489 ' CG ' ' N ' ' A' ' -2' ' ' LYS . 11.1 t80 56.48 162.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . 0.489 ' N ' ' CG ' ' A' ' -3' ' ' PHE . 0.1 OUTLIER -127.32 131.06 50.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -92.28 156.05 17.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 169.93 71.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -129.43 -71.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.046 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 5' ' ' LYS . . . 40.0 -156.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 72.45 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 3' ' ' ALA . 56.6 tttt -170.93 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.55 -26.91 23.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.625 ' CB ' ' CE1' ' A' ' 97' ' ' TYR . . . -45.34 -36.52 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -24.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -65.42 -76.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CE2' ' HB ' ' A' ' 20' ' ' VAL . 40.6 t80 -42.26 -38.19 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.47 -39.02 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.6 p -131.34 155.42 47.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' O ' ' CMC' ' A' ' 104' ' ' HEC . 5.4 mmt180 75.98 9.83 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 m -151.0 -62.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.17 -38.69 12.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -51.09 -22.82 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.352 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.47 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 83.2 m -113.69 -59.55 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 126.889 3.233 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.515 ' CG ' HD12 ' A' ' 32' ' ' LEU . 96.9 m-70 -105.34 147.38 28.23 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 118.138 -2.852 . . . . 0.0 115.082 -163.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.5 p -110.62 102.43 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.38 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.56 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 7.7 p -50.57 -46.56 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -50.38 164.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.534 ' HD3' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -89.36 178.91 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.12 54.1 3.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.68 148.34 19.21 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.33 21.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.566 1.824 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 34.5 m-70 70.53 133.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -117.67 -96.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 92.8 t -89.72 -23.94 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.68 167.81 25.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' CG ' ' O1A' ' A' ' 104' ' ' HEC . 18.2 Cg_endo -75.04 162.5 36.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 3.7 t-20 -61.26 148.35 41.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD12 ' CG ' ' A' ' 18' ' ' HIS . 14.0 mt -116.69 32.85 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CE1' ' HD3' ' A' ' 22' ' ' LYS . 12.3 t-80 -70.17 112.67 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' N ' ' OG ' ' A' ' 102' ' ' SER . . . 45.61 89.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -112.08 -32.24 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' N ' HG12 ' A' ' 35' ' ' ILE . 47.1 m-85 -61.89 74.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 156.21 -22.57 0.51 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 11.0 mmt85 -94.35 171.75 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.491 ' CE1' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -97.77 153.59 18.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' HIS . 94.7 p -37.17 120.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.562 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 89.04 110.5 1.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.421 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 29.9 mt-30 -139.26 27.67 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.33 129.41 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -112.6 90.57 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.67 -46.49 1.0 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 10.9 t80 -74.9 123.64 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 0.801 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.445 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 60.1 p -59.27 132.81 55.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -107.98 -178.41 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -96.36 163.86 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.57 21.94 8.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -111.37 -50.78 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.4 t-20 -66.68 -70.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.44 HD13 ' CB ' ' A' ' 48' ' ' TYR . 36.3 mt -39.35 -33.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' ASN . 15.4 mmtp -86.57 46.39 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -141.49 -47.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 56.97 85.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.469 ' CG1' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -129.83 101.31 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.2 tp -62.94 78.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' LEU . 56.2 m95 -32.31 133.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 107.992 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -122.81 -72.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -163.4 -70.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.516 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -70.32 -29.78 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 65' ' ' SER . 3.1 t30 -47.07 -72.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 33.3 ttm -39.77 -28.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -64.34 -51.97 60.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 63' ' ' ASN . 2.7 tp10 -47.05 -48.01 22.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.792 ' CE1' ' CD2' ' A' ' 74' ' ' TYR . 25.0 m-85 -75.08 -45.91 38.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 64' ' ' MET . 9.9 mt -48.77 -24.69 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.86 -28.22 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' TYR . 10.8 t-20 -146.85 71.03 12.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.0 -29.42 8.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.484 ' CM2' ' O ' ' A' ' 78' ' ' THR . . . . . . . . 0 N--CA 1.478 0.937 0 O-C-N 127.643 3.09 . . . . 0.0 116.62 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -107.79 -57.18 2.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.298 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.792 ' CD2' ' CE1' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -60.02 -50.46 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.962 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.2 mt -94.11 111.82 54.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.433 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.02 108.77 2.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.33 53.27 3.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 78' ' ' THR . 5.6 t -91.46 108.43 19.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -46.78 -25.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.505 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 16.0 ttt -57.84 91.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' CB ' HM31 ' A' ' 72' ' ' M3L . . . -86.01 81.59 8.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -120.08 134.13 55.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -48.57 -60.35 5.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.42 118.77 2.75 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 mt -56.66 -167.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -170.34 -39.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 6.9 mmmm -73.7 92.77 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -34.67 -61.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -57.39 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.46 -35.47 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 88' ' ' GLU . 3.1 mtm180 -73.21 -39.62 65.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -62.6 -46.98 85.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -53.72 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 98' ' ' LEU . 12.7 tp -46.56 -65.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.424 ' CD1' ' O ' ' A' ' 91' ' ' ARG . 19.2 mt -40.27 -31.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -79.48 -50.79 10.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.625 ' CE1' ' CB ' ' A' ' 7' ' ' ALA . 46.5 t80 -64.1 -48.32 76.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -52.41 -48.95 65.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -45.61 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -74.38 -48.34 28.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.04 -43.42 60.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.368 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -66.69 -24.01 66.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.505 ' C4D' ' HB2' ' A' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' -3' ' ' PHE . 3.6 tp10 -176.15 -59.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.496 ' CZ ' HG23 ' A' ' 95' ' ' ILE . 0.8 OUTLIER -37.84 102.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -60.65 123.79 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 1' ' ' GLY . . . -81.98 153.54 26.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . 39.23 93.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -128.98 42.21 3.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.006 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' SER . . . -37.91 102.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 1.5 mttp -154.03 43.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 88.38 54.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.95 -41.73 4.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 97' ' ' TYR . . . -54.95 -55.39 31.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -18.36 16.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.427 HD21 ' CD2' ' A' ' 94' ' ' LEU . 2.8 tt -70.25 -76.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 62.8 t80 -40.37 -44.59 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.2 tppt? -40.05 -35.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.7 p -126.2 154.09 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 73.31 10.42 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.1 m -153.98 -68.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.69 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -41.16 -45.55 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -39.08 -29.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.477 ' SG ' ' CG1' ' A' ' 28' ' ' VAL . 72.3 m -106.42 -56.31 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 126.842 3.211 . . . . 0.0 108.266 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -104.29 175.96 5.31 Favored 'General case' 0 C--N 1.381 1.968 0 O-C-N 118.179 -2.826 . . . . 0.0 115.091 -163.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.19 141.85 32.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.378 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -93.94 -40.42 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.03 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 1.7 tttm -105.34 155.83 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.85 -38.28 3.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' ND2' ' A' ' 31' ' ' ASN . . . -37.69 135.03 0.99 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.58 7.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 27.6 m-70 -93.6 133.12 37.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.633 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -119.8 -99.22 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.481 ' O ' ' CMD' ' A' ' 104' ' ' HEC . 76.6 t -94.38 -24.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.59 158.14 25.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.01 145.61 31.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -57.17 128.25 36.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.9 mt -84.04 -63.4 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 0.8 OUTLIER 70.15 -131.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.574 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -93.78 60.69 2.05 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.63 -147.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' A' ' 35' ' ' ILE . 62.6 m-85 57.05 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.07 29.88 5.62 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 8.7 mmt-85 -150.78 -176.38 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' OD1' ' A' ' 56' ' ' ASN . 1.5 m170 -105.17 163.48 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.455 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 78.9 p -47.95 130.71 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.564 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 91.39 85.67 1.45 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 37.5 mt-30 -103.88 27.48 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 0.795 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.56 131.58 8.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -95.86 -48.52 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.22 -46.67 8.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.6 t80 -69.11 133.74 48.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 0.738 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 p -77.77 119.22 20.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CE2' ' O1A' ' A' ' 104' ' ' HEC . 6.1 m-85 -99.86 -173.81 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.1 p -115.03 -153.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.38 22.32 12.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.1 -64.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LYS . 20.9 t30 -58.53 -72.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ASN . 19.9 mt -40.03 -38.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -87.11 46.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' ASN . 11.6 tptt -139.79 -48.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.583 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 65.88 34.48 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.591 HG12 ' CH2' ' A' ' 59' ' ' TRP . 3.2 p -68.18 92.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 39' ' ' HIS . 6.9 tp -57.61 114.35 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.591 ' CH2' HG12 ' A' ' 57' ' ' VAL . 56.9 m95 -78.15 127.77 32.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -140.07 -65.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 3.0 tt0 -168.35 -72.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -57.91 -64.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -40.19 -58.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -37.81 -34.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -81.72 -45.35 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.543 ' OE2' ' CD1' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -46.48 -24.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 56.5 t80 -93.65 -59.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.491 ' CD1' ' SD ' ' A' ' 64' ' ' MET . 33.0 mt -41.56 -43.47 2.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 70' ' ' ASN . 15.3 t -59.37 -49.86 76.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.419 ' N ' ' CG2' ' A' ' 69' ' ' THR . 1.0 OUTLIER -139.73 76.26 29.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.02 -29.53 8.1 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.417 ' CG ' HM22 ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.478 0.926 0 O-C-N 127.638 3.087 . . . . 0.0 116.634 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -90.5 -67.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.324 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CD1' ' OE2' ' A' ' 66' ' ' GLU . 19.4 t80 -40.11 -46.89 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.453 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 73.5 mt -114.59 92.3 28.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 82.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.05 44.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.453 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 7.1 t -112.54 114.88 27.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.428 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -23.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.519 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.7 ttt -60.1 92.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.2 76.77 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CE1' ' O ' ' A' ' 83' ' ' GLY . 16.8 t80 -105.72 145.81 30.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.452 ' O ' ' CE1' ' A' ' 82' ' ' PHE . . . -72.06 99.93 0.9 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -37.53 104.36 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.97 -170.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -169.58 -42.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -54.86 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.8 pt-20 -38.26 -59.73 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.356 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ASN . 5.9 mttp -43.42 -59.72 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.09 -32.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' GLU . 9.6 mtm180 -89.2 -40.05 13.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' -2' ' ' LYS . 97.9 m-20 -49.06 -46.67 44.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -70.41 -58.53 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 97' ' ' TYR . 3.3 tp -42.72 -69.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.496 HG23 ' CZ ' ' A' ' -3' ' ' PHE . 9.3 mt -41.96 -28.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -81.33 -45.66 15.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 54.3 t80 -72.71 -47.18 49.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -45.02 -47.66 11.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -66.1 -33.58 76.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -67.79 -55.99 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.48 85.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 75.4 m -60.36 -32.86 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.6 ' O1A' ' CE2' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' -3' ' ' PHE . 4.7 tt0 -177.65 -58.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' -4' ' ' GLU . 9.7 t80 56.74 113.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 100.81 12.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -40.53 156.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -127.65 -110.26 1.59 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -167.62 153.3 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.93 176.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.77 77.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.04 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.37 -37.85 6.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -41.4 -68.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -29.22 27.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -67.03 -76.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 82.8 t80 -39.3 -43.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 10' ' ' PHE . 3.3 ttmt -40.15 -38.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' LEU . 68.7 p -124.95 151.99 44.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 10.1 mmt180 75.88 13.83 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.388 ' SG ' ' CAB' ' A' ' 104' ' ' HEC . 3.3 m -156.49 -66.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.351 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.573 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.9 tp -41.75 -40.9 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -41.95 -27.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.459 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 61.6 m -113.23 -61.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 126.916 3.246 . . . . 0.0 108.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CG ' HD13 ' A' ' 32' ' ' LEU . 94.9 m-70 -96.97 157.75 15.75 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 118.14 -2.85 . . . . 0.0 115.124 -163.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.414 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 25.0 p -113.99 119.79 38.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 111.131 -2.758 . . . . 0.0 110.352 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 2.3 p -67.55 -36.59 76.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -78.13 -154.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 3.1 tttt -120.63 -42.53 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.98 63.84 0.35 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -151.98 126.58 2.08 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.56 8.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.552 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 40.8 m-70 -39.86 132.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.37 -98.86 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 56.2 t -91.79 -24.65 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.92 161.19 25.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' CG ' ' O2A' ' A' ' 104' ' ' HEC . 18.3 Cg_endo -74.93 159.03 42.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 3.4 t-20 -61.88 146.66 49.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.521 HD13 ' CG ' ' A' ' 18' ' ' HIS . 8.4 mt -111.74 36.37 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -65.4 94.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.56 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.77 93.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -106.56 -36.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 14.6 m-85 -60.55 75.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 160.52 -25.19 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 10.4 mmt180 -96.22 172.37 8.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -100.71 155.48 17.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' HIS . 88.3 p -37.82 119.64 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 89.91 110.89 1.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 36.6 mt-30 -137.27 23.25 2.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -136.15 127.36 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -100.19 -54.62 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.64 -42.78 20.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 19.2 t80 -89.69 121.94 32.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 p -61.17 137.98 58.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -109.17 -176.08 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -97.82 161.44 13.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.3 20.15 6.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.16 -56.37 2.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 43.7 t30 -63.71 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.421 HD13 ' CB ' ' A' ' 48' ' ' TYR . 30.1 mt -41.05 -35.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -87.01 46.81 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -139.26 -51.39 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.87 86.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -133.43 103.57 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.0 OUTLIER -62.41 79.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.561 ' CE3' ' HE2' ' A' ' 64' ' ' MET . 57.8 m95 -33.98 123.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.574 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -121.34 -66.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 15.4 tt0 179.21 -36.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.7 -62.24 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.423 ' CG ' ' N ' ' A' ' 64' ' ' MET . 5.7 p-10 -41.07 -40.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.561 ' HE2' ' CE3' ' A' ' 59' ' ' TRP . 4.0 ttm -64.1 -59.45 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.8 p -46.08 -42.23 13.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -56.73 -35.81 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.557 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 6.6 t80 -83.92 -47.23 11.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.419 ' CD1' ' HG2' ' A' ' 64' ' ' MET . 82.0 mt -43.45 -42.92 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 70' ' ' ASN . 4.7 t -71.63 -44.53 64.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.411 ' N ' HG21 ' A' ' 69' ' ' THR . 12.6 t-20 -126.26 73.75 72.63 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.557 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -75.02 -33.23 4.71 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.458 HM33 ' CB ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.948 0 O-C-N 127.621 3.076 . . . . 0.0 116.606 -178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.99 -68.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.311 175.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 25.5 t80 -38.03 -49.72 1.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 55' ' ' LYS . 21.9 mm -104.84 112.44 65.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 96.57 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.55 50.38 1.31 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.7 t -90.99 113.22 25.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 110.376 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -20.84 24.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.51 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 13.2 ttt -67.59 97.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' CB ' HM33 ' A' ' 72' ' ' M3L . . . -90.62 76.9 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -114.05 146.48 40.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.87 104.67 2.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.53 118.11 1.34 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 7.7 mt -66.25 -50.72 62.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER 51.5 31.36 7.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.489 ' N ' ' HE ' ' A' ' 91' ' ' ARG . 29.6 mmtt -127.45 86.02 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 2.4 mt-10 -38.41 -32.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -51.91 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.91 -55.64 12.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.489 ' HE ' ' N ' ' A' ' 87' ' ' LYS . 30.4 mtm180 -38.97 -48.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 78.8 m-20 -60.08 -56.85 16.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -49.63 -55.2 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.1 tp -46.34 -67.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.2 mt -40.47 -52.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 109.335 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -44.08 -50.61 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 101' ' ' ALA . 9.8 t80 -76.13 -46.99 26.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.45 -52.66 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -40.8 -48.72 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -78.11 -46.44 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.528 ' HB3' ' CE1' ' A' ' 97' ' ' TYR . . . -46.98 -49.57 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.4 p -81.77 -30.74 32.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 1.388 ' CAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' THR . . . . . 0.408 HG21 ' N ' ' A' ' -4' ' ' GLU . 23.9 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . 0.408 ' N ' HG21 ' A' ' -5' ' ' THR . 1.4 mm-40 -158.9 74.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 95' ' ' ILE . 4.1 t80 -41.14 143.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . 0.531 ' O ' ' CE1' ' A' ' -3' ' ' PHE . 0.0 OUTLIER -112.32 168.68 9.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -67.23 160.78 26.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 96' ' ' THR . . . -123.43 100.8 0.67 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.9 t -39.27 -34.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.71 46.12 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.69 14.22 11.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' NZ ' ' OD2' ' A' ' 93' ' ' ASP . 9.3 pttp -177.2 43.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.23 -51.64 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.18 -63.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.58 -22.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -67.23 -77.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.694 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 10.8 t80 -41.22 -37.0 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -51.75 -38.8 56.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -126.79 128.26 46.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.591 ' CB ' ' O ' ' A' ' 12' ' ' THR . 2.5 mmt180 91.2 16.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 84.1 m -157.54 -74.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.694 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 tp -44.43 -42.11 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -38.86 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.467 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 86.0 m -110.92 -57.17 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 126.8 3.191 . . . . 0.0 108.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.563 ' CD2' HD13 ' A' ' 32' ' ' LEU . 97.8 m-70 -103.9 176.19 5.23 Favored 'General case' 0 C--N 1.381 1.938 0 O-C-N 118.179 -2.826 . . . . 0.0 115.077 -163.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.452 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -144.19 122.98 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.419 -179.393 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.464 HG23 ' CB ' ' A' ' 101' ' ' ALA . 8.7 p -78.61 -38.45 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.2 mt-10 -42.86 165.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.534 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 52.0 tttt -72.4 -76.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.12 58.61 0.57 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.52 124.22 8.17 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.63 15.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 46' ' ' TYR . 43.9 m-70 -63.06 124.45 21.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -110.0 -102.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 78.3 t -81.6 -24.64 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.17 174.78 25.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.97 154.04 42.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -53.63 153.63 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 18' ' ' HIS . 74.9 mt -121.49 46.55 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -60.08 -128.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.39 58.34 4.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -68.8 -37.27 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.584 0.814 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.512 ' CE1' ' HE2' ' A' ' 64' ' ' MET . 13.7 m-85 -60.82 76.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 149.0 -17.93 1.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -94.88 -177.02 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -112.25 155.66 23.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.601 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.452 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 94.2 p -38.87 126.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 79.67 108.5 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -136.44 10.1 3.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 48' ' ' TYR . . . -100.03 142.02 32.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.61 -72.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.98 -35.5 32.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.469 1.105 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 2.5 t80 -78.98 129.65 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 p -72.23 -26.05 61.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.2 OUTLIER 64.9 -170.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.49 ' CG2' ' O2D' ' A' ' 104' ' ' HEC . 79.3 p -98.78 149.3 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.46 14.76 12.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.15 -40.81 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -79.08 -51.28 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 70.6 mt -52.98 -39.99 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.242 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -86.56 46.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -137.76 -46.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.599 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 76.8 32.39 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.572 HG12 ' CH2' ' A' ' 59' ' ' TRP . 3.4 p -71.22 91.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 39' ' ' HIS . 4.9 tp -67.38 96.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.572 ' CH2' HG12 ' A' ' 57' ' ' VAL . 22.3 m95 -59.1 145.19 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 1.3 t0 -145.98 -61.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' HG2' ' CG2' ' A' ' 95' ' ' ILE . 0.7 OUTLIER -178.73 -77.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -61.04 -37.7 83.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.419 HD22 ' CG2' ' A' ' 57' ' ' VAL . 10.3 t30 -53.29 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.512 ' HE2' ' CE1' ' A' ' 36' ' ' PHE . 2.3 ttm -36.67 -50.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.439 ' O ' ' NH2' ' A' ' 91' ' ' ARG . 14.4 t -42.07 -50.19 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -57.57 -41.12 80.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 75' ' ' ILE . 3.3 t80 -75.34 -26.85 58.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' MET . 94.5 mt -65.45 -46.69 78.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.461 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 3.4 t -68.08 -43.14 79.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.417 ' N ' HG21 ' A' ' 69' ' ' THR . 11.9 t-20 -129.43 71.29 82.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.02 -29.35 8.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.452 ' HG2' ' CM2' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.478 0.955 0 O-C-N 127.653 3.095 . . . . 0.0 116.59 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -89.57 -66.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.308 175.031 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CD2' HG13 ' A' ' 75' ' ' ILE . 87.7 t80 -37.49 -52.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 67' ' ' TYR . 9.6 mt -111.28 107.41 57.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 85.07 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.9 42.14 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 78' ' ' THR . 1.1 t -98.87 113.54 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -62.02 -14.4 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.526 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 13.4 ttt -59.98 94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HA ' ' CM3' ' A' ' 72' ' ' M3L . . . -85.11 64.46 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -105.43 144.74 31.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.31 104.01 1.99 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 69' ' ' THR . . . -42.72 113.07 0.56 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.58 -171.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -162.72 -51.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -54.23 90.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -44.32 -27.15 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -69.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.86 -49.27 77.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.492 ' O ' ' CD1' ' A' ' 95' ' ' ILE . 61.5 mtp180 -44.19 -41.29 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' -2' ' ' LYS . 78.4 m-20 -72.99 -63.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.449 ' OD2' ' NZ ' ' A' ' 5' ' ' LYS . 68.8 m-20 -42.1 -48.55 4.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.418 HD21 ' CD2' ' A' ' 9' ' ' LEU . 9.5 tp -56.71 -69.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.568 HG23 ' CE1' ' A' ' -3' ' ' PHE . 18.4 mt -39.71 -50.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.459 ' CB ' ' HA3' ' A' ' 1' ' ' GLY . 0.7 OUTLIER -45.2 -49.84 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -76.95 -47.64 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -54.39 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 103' ' ' GLU . 7.5 tmtt? -47.53 -43.99 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -71.35 -50.1 35.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 20' ' ' VAL . . . -52.73 -54.33 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 t -73.5 -26.75 61.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' LYS . 18.7 pt-20 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.526 ' C4D' ' HB2' ' A' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' -3' ' ' PHE . 9.9 mm-40 61.01 74.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 95' ' ' ILE . 2.3 t80 58.53 120.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 131.0 35.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.39 155.09 24.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -109.39 -26.14 5.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 86.09 -72.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 110.008 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.98 -169.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.29 50.28 16.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -176.06 -39.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.82 -34.17 7.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.75 -61.61 2.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -23.03 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -70.55 -79.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 67.5 t80 -38.76 -44.54 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -39.6 -35.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.6 p -128.71 150.47 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 9.0 mmt-85 75.54 9.07 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.66 -65.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.8 mp -43.8 -38.19 3.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 13' ' ' ARG . 5.7 pt20 -45.99 -25.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.467 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 84.1 m -120.01 -60.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 126.829 3.204 . . . . 0.0 108.305 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' CD2' HD12 ' A' ' 32' ' ' LEU . 97.7 m-70 -100.2 153.06 19.57 Favored 'General case' 0 C--N 1.381 1.937 0 O-C-N 118.121 -2.862 . . . . 0.0 115.129 -163.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.448 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 19.0 p -123.72 93.56 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 111.116 -2.766 . . . . 0.0 110.357 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 101' ' ' ALA . 7.7 p -53.77 -35.82 28.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -39.14 159.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 7.4 ttmm -65.84 -76.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.63 55.06 2.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.53 121.74 6.35 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 108.07 2.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 35.2 m-70 -39.24 132.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -116.69 -101.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 53.7 t -78.4 -26.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.67 -178.79 18.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 166.86 28.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -68.24 156.0 38.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD12 ' CD2' ' A' ' 18' ' ' HIS . 59.9 mt -127.64 48.67 2.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 102' ' ' SER . 0.9 OUTLIER -60.67 -126.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.582 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' CA ' ' HB3' ' A' ' 102' ' ' SER . . . -82.45 56.48 5.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -59.08 -158.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CE1' ' HE3' ' A' ' 64' ' ' MET . 25.6 m-85 56.98 116.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.1 22.72 5.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 16.4 mmt85 -148.39 -174.92 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.508 ' CD2' HD11 ' A' ' 58' ' ' LEU . 2.4 m170 -102.16 152.12 21.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.584 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.441 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 4.6 p -38.77 117.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.576 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 106.78 94.25 2.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 65.0 mt-30 -114.77 33.09 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.55 126.49 10.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.06 -55.76 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.64 -41.26 34.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 20.4 t80 -83.52 122.81 29.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 0.794 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.8 p -63.94 141.24 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 2.1 m-85 -116.32 -176.02 2.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -98.74 176.52 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.53 21.73 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.53 -55.41 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' LYS . 51.9 t30 -60.69 -68.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -40.47 -38.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -86.99 46.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -133.63 -46.75 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.4 23.93 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.583 HG12 ' CZ2' ' A' ' 59' ' ' TRP . 2.6 p -63.85 91.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.508 HD11 ' CD2' ' A' ' 39' ' ' HIS . 4.2 tp -67.49 93.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 41.5 m95 -54.03 115.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 107.957 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.28 -64.21 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.56 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 25.0 tt0 -178.44 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 65' ' ' SER . 1.3 m-80 -98.27 -60.36 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 64' ' ' MET . 6.7 p-10 -39.78 -33.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.604 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 4.0 tpp -73.72 -49.36 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.458 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 60.2 p -55.17 -42.8 73.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -31.8 70.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 2.6 t80 -81.67 -48.96 11.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' TYR . 73.6 mt -40.51 -42.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 70' ' ' ASN . 6.1 t -74.98 -40.4 60.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' TYR . 12.0 t-20 -128.14 72.68 79.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HA ' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -29.33 8.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.961 0 O-C-N 127.662 3.101 . . . . 0.0 116.591 -178.106 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -87.66 -66.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.297 175.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -42.07 -53.4 3.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.479 HD11 ' CE2' ' A' ' 67' ' ' TYR . 67.9 mt -109.83 100.36 42.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 107.36 2.47 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 35.88 2.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.43 1.081 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 78' ' ' THR . 2.2 t -95.62 115.43 27.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -18.93 16.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.515 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 20.9 ttt -57.3 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.93 71.78 10.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 4.2 t80 -109.54 -55.65 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' THR . . . 103.14 -54.31 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 111.97 152.66 11.98 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.3 mt -71.14 -108.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 4.5 mtmt 164.79 -48.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -75.03 100.18 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 91' ' ' ARG . 2.7 mt-10 -53.89 -28.33 35.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -47.15 -61.06 2.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.32 -40.84 95.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.238 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 88' ' ' GLU . 8.8 mtm180 -56.52 -41.21 76.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.48 -44.74 89.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -61.71 -52.05 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -60.41 -57.57 12.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' -3' ' ' PHE . 42.1 mt -39.63 -37.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -50.25 73.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 94' ' ' LEU . 20.3 t80 -77.59 -36.69 51.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -65.94 -31.7 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.486 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 21.8 tttm -34.41 -37.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -126.0 -60.53 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.519 ' O ' ' CG2' ' A' ' 20' ' ' VAL . . . 80.61 -14.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.564 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 16.6 p -85.57 -43.65 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 110.03 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.565 ' O2A' ' CE2' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' -4' ' ' GLU . 25.4 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' -3' ' ' PHE . 2.3 pm0 -117.7 -37.05 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.702 ' CZ ' ' CB ' ' A' ' -1' ' ' ALA . 1.3 t80 57.58 118.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' -1' ' ' ALA . 2.8 mmtt -90.55 34.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . 0.702 ' CB ' ' CZ ' ' A' ' -3' ' ' PHE . . . -37.12 154.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . 96.84 124.17 4.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER 157.69 93.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 0.0 110.062 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.35 63.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 2' ' ' SER . 24.3 tttt -103.93 -136.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 56.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.15 -46.84 2.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 97' ' ' TYR . . . -63.46 -61.08 2.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -21.4 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 94' ' ' LEU . 2.6 tt -65.16 -77.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 17.1 t80 -45.57 -34.02 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.63 -43.59 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.606 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -125.28 128.19 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.606 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.1 OUTLIER 92.92 16.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.428 ' SG ' ' CAB' ' A' ' 104' ' ' HEC . 63.2 m -155.82 -71.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.686 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.4 tp -45.19 -39.08 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -41.88 -27.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 73.0 m -110.54 -58.61 2.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 126.83 3.205 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -102.9 160.76 14.32 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 118.165 -2.834 . . . . 0.0 115.077 -163.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.443 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 12.2 p -123.33 115.13 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 111.071 -2.786 . . . . 0.0 110.423 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 101' ' ' ALA . 7.7 p -65.52 -32.35 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.76 -179.79 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 7.0 tttt -101.08 -51.82 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.91 60.42 3.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.23 127.88 5.44 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.3 9.22 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.518 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 33.2 m-70 -45.37 133.98 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -114.15 -102.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 55.6 t -81.07 -24.67 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.14 178.7 20.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 165.39 31.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.443 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 2.3 m120 -81.19 119.62 23.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.51 -66.27 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.52 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.9 OUTLIER 73.09 -129.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.559 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' H ' ' CG ' ' A' ' 33' ' ' HIS . . . -98.55 61.62 0.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.449 HG13 ' CE ' ' A' ' 64' ' ' MET . 0.1 OUTLIER -62.55 -139.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 61' ' ' GLU . 20.3 m-85 49.59 100.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 120.45 -26.23 7.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.432 1.082 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 9.2 mmt180 -93.37 170.82 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.555 ' CE1' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -94.31 151.47 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.634 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' HIS . 93.1 p -37.55 134.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 82.93 95.86 0.55 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 77.2 mt-30 -119.44 29.25 7.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.11 127.92 40.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -110.33 100.98 9.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 136.9 -51.69 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.518 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 11.3 t80 -65.23 124.19 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.47 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 11.8 p -55.71 130.66 44.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CE2' ' O1A' ' A' ' 104' ' ' HEC . 0.8 OUTLIER -109.27 -179.28 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -100.87 167.68 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.19 22.52 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.84 -56.06 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 53' ' ' ILE . 4.9 t-20 -60.75 -77.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.462 HD13 ' CB ' ' A' ' 48' ' ' TYR . 14.4 mt -39.46 -33.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -85.57 45.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -145.92 -47.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 54.85 89.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG1' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -128.87 102.43 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 39' ' ' HIS . 1.6 tp -63.1 78.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.602 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 60.1 m95 -32.29 133.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.19 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 29.0 tt0 175.65 -34.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -96.04 -59.11 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.594 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 25.8 p-10 -45.76 -47.78 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.602 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 16.8 tpp -45.03 -35.76 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' GLU . 14.5 p -68.95 -49.79 54.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.43 ' O ' ' CG2' ' A' ' 69' ' ' THR . 2.0 tt0 -36.95 -43.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 63' ' ' ASN . 8.7 m-85 -79.41 -52.04 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.5 mt -42.15 -29.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.463 ' HB ' ' CZ ' ' A' ' 91' ' ' ARG . 7.6 t -91.42 -37.87 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' TYR . 9.1 t-20 -131.84 67.52 79.63 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.95 -29.92 7.8 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.47 ' CM3' ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.934 0 O-C-N 127.671 3.107 . . . . 0.0 116.623 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -116.83 -55.91 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.004 -1.453 . . . . 0.0 109.295 175.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -62.73 -42.95 99.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 54.5 mt -99.95 108.78 53.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 108.56 2.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.793 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.9 55.77 3.48 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.468 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 14.2 t -94.5 107.56 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.412 ' CB ' HMD1 ' A' ' 104' ' ' HEC . 0.9 OUTLIER -40.14 -30.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.493 ' HE2' ' CHC' ' A' ' 104' ' ' HEC . 19.0 ttt -60.05 88.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HA ' ' CM3' ' A' ' 72' ' ' M3L . . . -88.86 67.1 8.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 22.1 t80 -97.08 143.49 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -47.95 -78.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 136.7 108.45 0.9 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -86.2 130.94 34.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 50.73 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' LYS . 26.9 mmtt -132.63 85.54 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -38.79 -29.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -54.2 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' ASP . 5.4 m-20 -63.15 -53.07 59.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.463 ' CZ ' ' HB ' ' A' ' 69' ' ' THR . 56.6 mtp180 -41.0 -44.02 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.13 -45.12 94.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 96' ' ' THR . 1.0 OUTLIER -68.01 -53.54 25.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -40.51 -73.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' LEU . 11.2 mt -39.38 -31.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -78.23 -50.11 12.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.415 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 7' ' ' ALA . 90.9 t80 -63.53 -40.5 97.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -63.97 -50.62 67.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -32.88 3.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 103' ' ' GLU . 12.0 tptp -82.91 -61.72 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 20' ' ' VAL . . . -45.66 -57.13 4.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 33' ' ' HIS . 1.2 m -49.2 -26.7 3.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 100' ' ' LYS . 16.5 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 1.428 ' CAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -163.02 71.71 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.59 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 2.3 t80 -176.88 96.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . 0.421 ' HG2' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -63.57 124.46 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.15 155.75 27.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -113.46 -130.32 5.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -172.44 -75.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.97 35.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -146.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 58.09 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.94 -51.49 1.77 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.463 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -52.28 -62.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.5 -21.47 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -70.75 -76.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.674 ' CD2' ' CD1' ' A' ' 15' ' ' LEU . 35.3 t80 -47.49 -22.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.45 -38.24 59.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -118.54 125.07 49.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 110.36 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER 84.76 22.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 97.5 m -157.77 -71.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.674 ' CD1' ' CD2' ' A' ' 10' ' ' PHE . 1.3 mp -45.57 -36.56 4.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -46.9 -24.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.469 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 75.7 m -112.07 -58.24 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 126.865 3.222 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -105.43 158.29 16.75 Favored 'General case' 0 C--N 1.382 1.981 0 O-C-N 118.121 -2.862 . . . . 0.0 115.081 -163.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 12.1 p -131.27 124.19 29.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 111.074 -2.785 . . . . 0.0 110.38 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 21' ' ' GLU . 7.2 p -73.0 -39.87 58.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.5 mt-10 -45.2 168.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 33' ' ' HIS . 1.9 ttmt -86.97 -57.08 3.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.1 59.76 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.81 124.18 5.94 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.8 19.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.59 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 31.6 m-70 -57.42 139.31 53.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.534 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -129.98 -94.69 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.5 ' O ' ' CMD' ' A' ' 104' ' ' HEC . 99.6 t -95.6 -30.91 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.67 157.11 22.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' HD3' ' CBD' ' A' ' 104' ' ' HEC . 18.4 Cg_endo -75.04 133.57 16.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.4 m120 -47.28 121.11 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.52 HD23 ' C3A' ' A' ' 104' ' ' HEC . 13.9 mt -79.53 -66.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.418 ' NE2' ' HE3' ' A' ' 22' ' ' LYS . 1.3 t-80 74.74 -136.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -87.73 59.31 4.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.32 -146.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CD2' HG12 ' A' ' 35' ' ' ILE . 51.2 m-85 56.98 114.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.041 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.63 -32.74 5.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 9.3 mmt180 -90.5 170.75 9.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.5 ' CE1' HD11 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.94 152.59 18.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' HIS . 95.6 p -38.15 137.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.554 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 82.88 91.67 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 66.9 mt-30 -116.37 27.32 9.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.16 130.55 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -96.19 -42.61 8.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.65 -46.78 24.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.59 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -71.93 130.46 41.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 0.788 . . . . 0.0 111.027 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -75.29 113.57 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.607 ' CE2' ' O2A' ' A' ' 104' ' ' HEC . 4.6 m-85 -91.28 176.13 6.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.5 p -107.46 -170.0 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.03 22.91 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.38 -51.24 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 53' ' ' ILE . 6.0 t-20 -63.65 -79.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.431 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 29.9 mt -39.57 -33.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 52' ' ' ASN . 12.3 mmtp -86.03 46.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.465 ' CD ' HG12 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -140.35 -51.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 55.47 84.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -128.63 102.76 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.508 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.6 tp -62.56 79.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 58.9 m95 -34.31 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -141.88 -68.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE2' ' CD2' ' A' ' -3' ' ' PHE . 0.5 OUTLIER -177.09 -57.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.17 -46.33 20.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -44.64 -55.96 4.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.579 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 16.8 tpp -51.91 -49.44 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.413 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 9.7 p -43.89 -43.13 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.63 -52.95 62.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.683 ' CE1' ' CD1' ' A' ' 75' ' ' ILE . 7.0 t80 -53.16 -55.73 21.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.3 mt -52.38 -37.72 57.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -50.37 74.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -141.11 76.85 21.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.0 -29.42 8.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.459 ' CM1' ' HG3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.479 0.979 0 O-C-N 127.683 3.115 . . . . 0.0 116.536 -178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.66 -65.03 1.0 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.298 175.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -37.58 -50.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 67' ' ' TYR . 62.5 mt -114.75 91.85 27.36 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.72 2.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.0 42.44 1.53 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.405 ' O ' ' CG2' ' A' ' 78' ' ' THR . 7.4 t -110.71 114.97 28.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -48.57 -24.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.526 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 20.8 ttt -58.07 89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' HA ' ' CM1' ' A' ' 72' ' ' M3L . . . -92.7 65.92 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -87.44 -58.45 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 126.66 -70.28 0.5 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.98 125.07 4.51 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.14 173.78 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -143.54 45.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.9 mmmp? -132.84 92.05 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 5.8 mt-10 -38.04 -34.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -50.21 -69.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' ARG . 4.9 m-20 -65.43 -56.3 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.455 ' O ' ' CD1' ' A' ' 95' ' ' ILE . 55.8 mtm180 -38.83 -47.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 91.3 m-20 -68.55 -54.13 18.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -48.96 -49.79 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 9' ' ' LEU . 6.6 tp -46.57 -71.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.462 ' CG2' ' HG2' ' A' ' 61' ' ' GLU . 4.0 mt -39.59 -44.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.86 -51.1 70.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.463 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 56.1 t80 -70.03 -46.06 65.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -47.96 -50.65 26.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -63.76 -26.56 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' TYR . 6.8 ttpp -77.11 -63.06 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.89 82.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 50.0 m -66.26 -28.74 68.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.607 ' O2A' ' CE2' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -177.7 82.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.589 ' CG ' ' N ' ' A' ' -2' ' ' LYS . 9.6 t80 -52.04 169.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . 0.589 ' N ' ' CG ' ' A' ' -3' ' ' PHE . 31.3 ttmt -161.4 136.91 7.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -40.12 154.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -128.62 -142.27 5.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 91.39 6.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.56 44.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.15 6.72 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -161.18 -103.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.571 ' O ' ' CD2' ' A' ' 97' ' ' TYR . . . 113.15 30.15 2.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -159.73 -46.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.42 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -89.0 -73.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.447 ' C ' ' N ' ' A' ' 12' ' ' THR . 55.5 t80 -38.87 -43.64 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -39.48 -30.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 10' ' ' PHE . 67.7 p -133.78 154.32 51.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 75.51 9.15 3.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.1 -62.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 108.326 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.91 -39.04 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -45.55 -25.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 81.4 m -118.08 -61.38 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 126.881 3.229 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -101.16 159.81 14.93 Favored 'General case' 0 C--N 1.381 1.964 0 O-C-N 118.129 -2.857 . . . . 0.0 115.103 -163.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 p -128.99 112.78 14.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 111.093 -2.776 . . . . 0.0 110.413 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG2' ' OG ' ' A' ' 102' ' ' SER . 8.3 p -64.93 -22.2 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.7 OUTLIER -52.56 176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -98.18 -59.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 60.58 1.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.16 123.68 7.53 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.02 -9.02 20.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.437 1.756 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 30.8 m-70 85.21 134.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -114.62 -100.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 71.8 t -85.32 -24.04 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.09 171.6 23.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.484 ' CG ' ' O2A' ' A' ' 104' ' ' HEC . 18.3 Cg_endo -74.99 164.41 33.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.5 m120 -80.52 118.85 22.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' GLY . 25.7 mt -61.19 -39.51 90.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 102' ' ' SER . 6.8 t60 -39.21 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 135.92 -27.36 3.05 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 36' ' ' PHE . 2.8 pp -60.08 -165.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 35' ' ' ILE . 4.1 m-30 57.25 81.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 150.47 -73.87 0.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 15.5 mmt180 -69.35 -162.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -107.28 172.57 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.601 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.1 p -40.53 137.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 81.64 90.66 0.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 24.2 mt-30 -121.37 28.13 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.84 139.14 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.13 45.81 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.28 41.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 11.4 t80 -165.83 127.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.556 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 85.3 p -61.44 135.6 57.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 1.1 m-85 -110.27 177.58 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -85.83 172.12 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.28 18.66 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.19 -43.33 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 12.1 t-20 -63.18 -78.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' ASN . 27.7 mt -38.82 -32.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 52' ' ' ASN . 59.2 mmtt -86.52 44.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' ASN . 14.5 tppt? -138.27 -56.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 73.69 83.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.492 ' CG1' ' OH ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -124.23 104.74 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.4 tp -61.65 80.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.492 ' C ' ' O ' ' A' ' 58' ' ' LEU . 56.6 m95 -35.64 111.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -117.84 -77.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 25.9 tt0 -175.51 -38.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.692 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.8 OUTLIER -87.62 -48.06 8.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.447 ' CG ' ' N ' ' A' ' 64' ' ' MET . 7.5 p-10 -51.98 -42.86 63.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.481 ' HE2' ' CE1' ' A' ' 36' ' ' PHE . 30.2 ttm -52.87 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 23.2 t -41.82 -38.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.18 -44.69 83.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.553 ' CD1' HD13 ' A' ' 75' ' ' ILE . 7.6 t80 -79.27 -31.27 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 64' ' ' MET . 64.2 mt -64.04 -50.13 69.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.48 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 10.2 t -66.85 -45.54 77.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -126.11 73.56 71.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.503 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -75.08 -32.4 5.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.783 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.444 ' CM1' ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.946 0 O-C-N 127.683 3.114 . . . . 0.0 116.555 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -92.63 -69.4 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.284 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.492 ' OH ' ' CG1' ' A' ' 57' ' ' VAL . 1.6 t80 -38.68 -48.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.553 HD13 ' CD1' ' A' ' 67' ' ' TYR . 96.3 mt -113.83 107.05 53.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.33 2.46 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.39 31.45 6.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.494 ' OG1' ' CGD' ' A' ' 104' ' ' HEC . 2.7 t -77.21 110.7 12.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' CB ' HMD2 ' A' ' 104' ' ' HEC . 7.0 tttt -47.73 -28.22 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.516 ' HE2' ' C4B' ' A' ' 104' ' ' HEC . 17.7 ttt -60.63 87.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' HA ' ' CM1' ' A' ' 72' ' ' M3L . . . -87.16 74.25 9.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.369 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.545 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 6.4 t80 -105.64 136.64 44.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -51.56 -58.21 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.545 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 129.9 127.15 2.89 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 45.9 mt -60.84 -65.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 85.7 -65.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.2 mmpt? -59.0 95.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.1 pt-20 -34.01 -59.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 3.0 mtmt -40.45 -60.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.366 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.422 ' CG ' ' CD1' ' A' ' 9' ' ' LEU . 1.6 m-20 -48.06 -39.28 19.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.48 ' NH1' ' CB ' ' A' ' 69' ' ' THR . 13.3 mtm180 -70.75 -39.23 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.36 -61.06 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.0 -49.49 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.484 ' CD1' ' CD1' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -55.25 -66.91 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 61' ' ' GLU . 35.2 mt -49.05 -57.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 95' ' ' ILE . 0.5 OUTLIER -37.94 -54.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.382 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 44.8 t80 -72.87 -44.42 61.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD1' ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -49.8 -44.18 48.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -53.85 -20.05 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -111.94 -20.63 11.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -65.08 -59.18 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.516 ' HB3' ' CG ' ' A' ' 33' ' ' HIS . 1.2 m -168.46 49.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' SER . 7.3 pt-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.516 ' C4B' ' HE2' ' A' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' -4' ' ' GLU . 38.5 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' -5' ' ' THR . 0.2 OUTLIER 86.15 -12.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.449 ' CG ' ' OE2' ' A' ' 61' ' ' GLU . 20.9 t80 56.47 107.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.91 19.87 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 58.44 159.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -124.76 -40.36 0.42 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.21 146.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.996 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.84 62.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -130.11 10.14 5.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 6.4 tttt -177.13 41.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.11 -58.13 0.36 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.29 -67.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.05 -30.41 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD2' ' HG ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -68.3 -75.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 68.0 t80 -43.63 -24.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -73.1 -45.37 57.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -112.59 127.4 56.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.362 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 82.79 23.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 65.1 m -159.23 -68.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 108.249 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.6 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 tp -44.95 -35.03 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -46.08 -25.62 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.462 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 99.6 m -114.87 -59.46 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 126.883 3.23 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -103.03 158.09 16.53 Favored 'General case' 0 C--N 1.382 1.98 0 O-C-N 118.138 -2.851 . . . . 0.0 115.09 -163.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.401 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -124.45 127.6 47.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 111.104 -2.771 . . . . 0.0 110.412 -179.386 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 7.1 p -81.8 -28.92 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -48.15 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.4 ttmm -96.93 -64.76 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.89 57.61 3.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.63 134.02 10.36 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.19 13.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.467 1.772 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 32.2 m-70 -90.52 147.22 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.639 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -135.6 -93.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 65.1 t -98.35 -28.9 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.2 153.23 21.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD3' ' CBD' ' A' ' 104' ' ' HEC . 18.2 Cg_endo -75.0 141.46 26.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 19' ' ' THR . 0.9 OUTLIER -49.71 137.01 16.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -103.0 19.73 18.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 16.1 t60 -82.89 61.0 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.64 48.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.66 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.6 pp -117.32 -162.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.66 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 2.3 m-85 58.11 110.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.87 2.0 55.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.48 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 5.8 mmt85 -118.93 -170.52 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.568 ' CD2' HD11 ' A' ' 58' ' ' LEU . 1.4 m170 -116.39 148.67 40.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' HIS . 95.2 p -34.58 129.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.954 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 92.07 98.56 1.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.48 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 74.8 mt-30 -139.2 26.16 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.39 131.79 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.8 70.97 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.69 -37.09 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.1 t80 -69.97 129.79 40.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.7 p -75.05 119.95 19.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.588 ' CE2' ' O1A' ' A' ' 104' ' ' HEC . 4.9 m-85 -100.41 179.06 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.0 p -113.59 178.99 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.498 ' OD1' ' CE ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -92.43 24.15 3.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -106.44 -64.45 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 55' ' ' LYS . 54.1 t30 -62.41 -67.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.3 mt -42.73 -39.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.498 ' CE ' ' OD1' ' A' ' 50' ' ' ASP . 34.1 mmtt -87.76 45.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -139.82 -55.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER 76.83 35.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.581 HG12 ' CZ2' ' A' ' 59' ' ' TRP . 8.7 p -68.33 95.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 39' ' ' HIS . 3.8 tp -64.57 99.43 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 57' ' ' VAL . 40.9 m95 -61.19 130.11 44.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 108.032 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.599 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 12.0 t70 -144.36 -65.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' OE2' ' CG ' ' A' ' -3' ' ' PHE . 28.7 tt0 -171.31 -75.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -65.22 -43.99 89.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -57.09 -55.02 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.25 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.567 ' HE3' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -56.01 -52.65 63.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 95' ' ' ILE . 79.2 p -54.71 -43.62 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -52.82 -32.16 42.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.468 ' HB2' ' CD2' ' A' ' 74' ' ' TYR . 8.4 t80 -87.34 -51.27 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -41.85 -44.21 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.0 t -66.73 -49.41 66.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -126.32 74.47 73.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.462 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.03 -29.61 8.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.462 ' CM1' ' HG2' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.478 0.961 0 O-C-N 127.706 3.128 . . . . 0.0 116.591 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -64.19 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.05 -1.432 . . . . 0.0 109.307 175.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -40.75 -55.15 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.467 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 64.7 mt -109.67 100.33 41.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.88 3.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.9 44.12 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 11.1 t -106.69 110.45 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 0.771 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -29.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.523 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.9 ttt -57.58 90.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.76 83.32 4.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 11.6 t80 -115.38 138.12 51.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.68 -64.04 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 119.64 111.38 2.36 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.74 104.06 10.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -92.04 37.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -132.86 85.04 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -39.03 -36.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.45 -43.4 83.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -53.54 -41.02 65.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -63.11 -52.5 62.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -48.53 -56.99 6.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -52.1 -68.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 65' ' ' SER . 18.5 mt -39.64 -54.55 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -40.3 -51.1 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -79.7 -48.36 13.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -53.87 4.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' GLU . 19.9 tptp -40.35 -47.4 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLU . 9.2 ttmm -79.11 -50.63 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.25 -48.94 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m -82.95 -28.91 29.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 7.9 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.588 ' O1A' ' CE2' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' -4' ' ' GLU . 4.2 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' -3' ' ' PHE . 1.2 pm0 -38.97 -33.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' -2' ' ' LYS . 0.0 OUTLIER -174.1 141.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . 0.466 ' O ' ' CE2' ' A' ' -3' ' ' PHE . 2.9 ttmt -84.16 140.96 31.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -115.94 154.25 30.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 66.99 131.33 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.443 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 11.3 t 170.39 41.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.82 175.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.01 40.64 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 2' ' ' SER . 1.3 ptpm? 173.21 -33.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.08 -24.55 40.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.8 -60.87 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.38 -23.36 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 5.4 tt -63.65 -76.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 61.6 t80 -46.53 -33.08 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.04 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -116.14 60.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 19.1 mmt180 -145.78 -46.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -39.91 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.548 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 3.0 tp -42.66 -38.14 1.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -44.56 -29.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 m -109.35 -56.8 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 126.839 3.209 . . . . 0.0 108.279 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 30' ' ' PRO . 95.9 m-70 -103.26 157.72 16.81 Favored 'General case' 0 C--N 1.381 1.967 0 O-C-N 118.176 -2.828 . . . . 0.0 115.069 -163.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.454 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.8 p -128.88 108.57 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.123 -2.762 . . . . 0.0 110.407 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.5 p -56.36 -32.84 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 4.0 mt-10 -70.09 161.45 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.544 ' CE ' ' ND1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -90.54 -161.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.84 31.79 5.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.54 129.7 8.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.16 13.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' CE1' ' CB ' ' A' ' 43' ' ' ALA . 72.5 m-70 -51.1 111.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -93.98 -106.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' O ' ' CMD' ' A' ' 104' ' ' HEC . 93.0 t -78.22 -32.88 17.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.41 168.2 25.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.01 156.55 42.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' THR . 4.9 t-20 -71.59 152.97 42.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' CHB' ' A' ' 104' ' ' HEC . 13.7 mt -115.76 40.1 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.544 ' ND1' ' CE ' ' A' ' 22' ' ' LYS . 6.1 t-80 -62.62 104.13 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 102' ' ' SER . . . 48.25 95.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.509 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -114.76 -149.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.675 ' CZ ' ' CE ' ' A' ' 64' ' ' MET . 55.0 m-85 56.47 114.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.99 1.86 48.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 3.8 mmt85 -116.63 -169.85 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.791 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.562 ' CD2' HD11 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -108.34 148.17 30.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.607 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.424 ' HB3' ' CG1' ' A' ' 57' ' ' VAL . 4.0 p -41.66 117.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.44 96.08 2.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.491 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 63.2 mt-30 -137.16 9.82 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' CB ' ' CE1' ' A' ' 26' ' ' HIS . . . -72.96 -8.11 54.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ALA . 3.4 tm-20 35.24 86.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.34 -46.5 0.63 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.497 ' CD1' ' CB ' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -87.84 133.37 33.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 0.0 110.97 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' TYR . 41.4 t -82.05 7.78 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.474 ' HB2' ' CD1' ' A' ' 53' ' ' ILE . 4.6 m-85 43.41 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.4 p -97.92 -174.46 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.99 26.3 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -116.52 -55.08 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 55' ' ' LYS . 9.2 t-20 -64.75 -82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 48' ' ' TYR . 24.0 mt -38.1 -35.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' ASN . 11.4 mmtt -86.84 46.47 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -147.49 -52.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER 78.46 32.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.581 HG12 ' CH2' ' A' ' 59' ' ' TRP . 3.2 p -60.48 83.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.562 HD11 ' CD2' ' A' ' 39' ' ' HIS . 6.0 tp -63.78 92.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.581 ' CH2' HG12 ' A' ' 57' ' ' VAL . 27.8 m95 -53.99 152.72 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -157.05 -63.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -167.12 -68.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -79.91 -41.26 26.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -44.75 -53.13 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.675 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 3.4 ttm -61.68 -38.8 89.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.494 ' OG ' ' CD1' ' A' ' 95' ' ' ILE . 0.3 OUTLIER -55.58 -55.45 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -31.22 26.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.502 ' CE2' HD22 ' A' ' 68' ' ' LEU . 6.7 t80 -82.72 -58.29 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.502 HD22 ' CE2' ' A' ' 67' ' ' TYR . 59.3 mt -40.31 -44.98 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 70' ' ' ASN . 9.3 t -68.55 -44.6 74.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' TYR . 12.9 t-20 -127.64 73.62 78.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.97 -29.8 7.9 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' M3L . . . . . 0.413 ' HG2' ' CM3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.479 0.976 0 O-C-N 127.65 3.094 . . . . 0.0 116.641 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.03 -64.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 113.971 -1.468 . . . . 0.0 109.284 175.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -41.96 -53.44 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mm -98.82 109.62 54.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.98 103.05 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.86 54.2 2.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 78' ' ' THR . 5.2 t -101.57 111.09 23.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.415 ' NZ ' HG11 ' A' ' 28' ' ' VAL . 42.5 tttm -49.59 -23.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.477 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 20.8 ttt -59.55 92.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.11 82.39 5.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -114.45 128.94 56.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.64 -60.48 4.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.42 134.38 4.03 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 9' ' ' LEU . 21.8 mt -63.42 -64.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 83.5 -51.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLU . 8.1 mmtm -71.05 84.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -38.18 -36.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -69.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 93' ' ' ASP . 2.4 m-20 -53.05 -50.26 64.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.448 ' NH1' ' OG ' ' A' ' 65' ' ' SER . 12.7 mtm105 -48.43 -42.24 31.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -58.79 -27.69 65.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -85.21 -48.57 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -40.98 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.494 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 3.5 mt -41.33 -29.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -77.78 -47.65 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' LEU . 13.5 t80 -72.46 -47.6 47.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -58.49 -53.48 57.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 3.6 tttt -51.05 -39.54 56.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -73.49 -61.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.89 -59.39 3.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.488 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 45.9 p -46.48 -25.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.537 ' O2D' ' CHA' ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.597 ' CZ ' ' OE2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.548 0.213 . . . . 0.0 110.961 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' -2' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER -89.26 15.7 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' -1' ' ' ALA . . . . . 0.592 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . 54.51 170.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -120.39 -131.91 4.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' ALA . 3.1 t 175.23 61.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.14 38.12 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . 5.5 tttm -62.0 -141.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -86.27 62.19 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.76 -45.66 3.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.15 -58.04 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -14.74 16.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.929 HD22 ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -75.41 -77.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.508 ' CD1' HD13 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -35.74 -48.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' PHE . 5.1 tttm -37.53 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.6 p -95.68 52.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 28.8 mmt180 -150.12 -45.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -124.27 -43.27 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 10' ' ' PHE . 3.9 tp -45.57 -37.44 5.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -50.12 -22.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.6 m -118.04 -48.65 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 126.852 3.215 . . . . 0.0 108.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -112.31 176.2 5.12 Favored 'General case' 0 C--N 1.381 1.948 0 O-C-N 118.15 -2.844 . . . . 0.0 115.088 -163.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 73.1 p -147.95 108.2 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.391 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.31 -31.0 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.2 pt-20 -52.69 175.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD2' ' NE2' ' A' ' 33' ' ' HIS . 1.9 tttm -92.05 -53.67 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -47.69 -23.0 2.06 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -36.61 105.58 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -74.99 -7.16 18.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 13.0 m80 87.31 136.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -123.44 -96.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.8 t -86.48 -23.75 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.92 168.74 24.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -74.98 166.32 29.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -76.48 141.77 41.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 39.6 mt -94.88 -61.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.414 ' NE2' ' HD2' ' A' ' 22' ' ' LYS . 1.3 t-80 66.81 -147.05 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -79.4 60.05 4.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.0 -144.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.42 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 26.2 m-85 53.89 106.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 120.53 -29.48 5.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.596 ' O ' HD12 ' A' ' 58' ' ' LEU . 7.3 mmt85 -89.26 171.53 9.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.887 ' CE1' HD13 ' A' ' 58' ' ' LEU . 91.1 m-70 -95.63 112.87 24.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.474 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 60.4 p 36.16 -153.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.948 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -35.06 151.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 29.7 mt-30 -141.5 27.95 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.802 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -125.98 126.47 44.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.33 -44.19 5.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.69 56.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 8.9 t80 -88.17 134.82 33.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.453 ' O ' ' CE1' ' A' ' 46' ' ' TYR . 84.2 p -69.31 120.38 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.802 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 1.6 m-85 -98.21 -166.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.4 p -100.15 159.64 14.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.02 22.16 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.06 -54.1 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -69.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.468 HD12 ' CB ' ' A' ' 48' ' ' TYR . 20.4 mt -44.23 -34.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -85.26 46.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -141.2 -47.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.44 28.63 13.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.803 HG11 ' CH2' ' A' ' 59' ' ' TRP . 8.0 p -63.4 93.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.887 HD13 ' CE1' ' A' ' 39' ' ' HIS . 9.8 tp -54.04 109.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.803 ' CH2' HG11 ' A' ' 57' ' ' VAL . 49.3 m95 -70.92 157.45 38.15 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -167.14 -64.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.597 ' OE2' ' CZ ' ' A' ' -3' ' ' PHE . 1.3 tt0 -166.77 -77.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -57.82 -56.03 27.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.722 HD21 HG22 ' A' ' 57' ' ' VAL . 7.7 t30 -41.52 -67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.431 ' HA ' ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -38.29 -56.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.583 ' CB ' HD11 ' A' ' 95' ' ' ILE . 1.2 t -56.26 -38.96 71.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -53.64 -28.59 33.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 20.8 t80 -93.87 -42.84 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.6 mt -48.28 -42.16 29.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.567 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.5 OUTLIER -64.59 -60.63 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.567 ' N ' HG22 ' A' ' 69' ' ' THR . 3.9 m-20 -124.13 75.52 59.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.591 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -44.95 -53.94 7.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.506 HG13 ' CE1' ' A' ' 67' ' ' TYR . 28.1 mm -87.19 113.61 54.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.47 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.77 55.12 0.75 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' THR . 0.8 OUTLIER -96.89 113.33 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 110.363 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -65.97 -11.24 46.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.9 ttt -63.42 95.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.72 71.62 8.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -102.0 -51.29 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 102.42 -59.04 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.434 ' CA ' ' O ' ' A' ' 69' ' ' THR . . . 134.28 136.94 3.72 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.6 mt -73.61 -35.95 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 1.5 pttm 51.42 22.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -133.34 75.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -38.95 -32.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.332 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' LYS . 15.3 mttt -48.02 -64.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 93' ' ' ASP . 4.4 m-20 -61.95 -47.2 85.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.651 ' O ' HD12 ' A' ' 95' ' ' ILE . 6.6 mtm180 -46.73 -43.78 18.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.65 -34.81 71.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 90' ' ' ASP . 56.0 m-20 -83.05 -37.16 24.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.933 HD13 ' CE2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -43.28 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 91' ' ' ARG . 1.4 mp -50.01 -53.07 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -35.71 -48.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.933 ' CE2' HD13 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -87.26 -43.02 12.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -41.95 -58.01 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.91 -38.82 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -69.54 -57.44 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.03 -39.39 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.56 -25.18 63.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.498 ' HZ ' ' HG1' ' A' ' 96' ' ' THR . 5.6 t80 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.483 0.183 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.19 107.46 19.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' -1' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' -3' ' ' PHE . . . -70.78 156.04 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.437 ' C ' ' HG ' ' A' ' 2' ' ' SER . . . -178.25 -103.23 0.17 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.142 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.504 ' OG ' HG22 ' A' ' 96' ' ' THR . 96.5 p 55.49 -95.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.452 ' N ' ' OG ' ' A' ' 2' ' ' SER . . . 51.16 -143.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -70.25 75.02 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.01 -34.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.76 -24.4 42.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . . . -63.54 -32.43 73.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -11.45 31.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.109 HD22 HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -77.09 -78.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -37.47 -50.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.5 tptt -38.49 -32.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.562 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -134.14 126.53 30.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.421 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 89.61 21.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 72.3 m -156.1 -71.77 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 108.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 10' ' ' PHE . 1.8 tp -45.99 -26.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 14' ' ' CYS . 11.2 pt20 -54.36 -27.37 35.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.465 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 95.3 m -113.43 -56.25 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 126.843 3.211 . . . . 0.0 108.294 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -104.84 151.65 23.56 Favored 'General case' 0 C--N 1.381 1.94 0 O-C-N 118.204 -2.81 . . . . 0.0 115.102 -163.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.608 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -109.25 124.87 51.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 111.05 -2.795 . . . . 0.0 110.425 -179.424 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.941 HG21 ' HB1' ' A' ' 101' ' ' ALA . 5.8 p -91.46 -21.79 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.8 159.97 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.632 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 3.1 tttt -78.33 162.81 26.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.64 56.3 22.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.66 126.69 8.27 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.0 -9.46 20.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.559 1.821 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.521 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 12.5 m80 84.03 137.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.584 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -114.54 -100.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 95.6 t -85.92 -24.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.48 170.23 24.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -74.98 163.21 35.83 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.608 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.7 OUTLIER -68.97 136.18 52.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' HIS . 18.4 mt -89.05 -47.44 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.632 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 1.2 p-80 -38.85 103.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.613 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.96 -25.08 4.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.5 pp -60.81 -158.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.752 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.0 m-85 58.01 92.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 123.99 -11.92 8.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.552 1.157 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 58' ' ' LEU . 20.1 mmt-85 -112.6 174.36 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.702 ' CD2' HD13 ' A' ' 58' ' ' LEU . 4.9 m170 -92.88 115.18 27.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.555 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.447 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 85.6 p 39.01 -160.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -56.32 135.03 50.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.408 ' NE2' ' HD2' ' A' ' 38' ' ' ARG . 8.3 mt-30 -126.5 25.23 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.637 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -74.12 126.91 31.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -111.77 95.25 5.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.92 -47.59 0.86 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 47' ' ' SER . 7.8 t80 -76.07 127.52 33.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.543 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 36.7 p -53.79 128.03 28.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.956 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.637 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -117.41 -175.42 2.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.9 p -108.75 162.27 14.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.04 21.98 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -112.03 -54.38 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 54' ' ' LYS . 1.7 m-20 -65.43 -80.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 48' ' ' TYR . 31.8 mt -39.58 -32.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 52' ' ' ASN . 6.3 mmtp -85.12 46.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.53 -46.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' OD1' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 69.41 37.1 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.64 HG22 HD21 ' A' ' 63' ' ' ASN . 2.6 p -74.61 90.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 39' ' ' HIS . 8.5 tp -51.34 116.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.559 ' CZ2' HG13 ' A' ' 57' ' ' VAL . 52.4 m95 -80.96 140.9 34.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 107.988 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -153.65 -69.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 1.9 tt0 -167.67 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.78 -49.56 68.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.64 HD21 HG22 ' A' ' 57' ' ' VAL . 4.6 t30 -44.59 -64.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.4 ttm -43.49 -44.6 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.576 ' HA ' HD11 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -48.63 -36.73 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.004 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -75.65 -44.52 42.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -53.9 -43.02 69.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' ' 69' ' ' THR . 20.8 mt -74.42 -176.5 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER 72.88 -55.37 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' N ' HG22 ' A' ' 69' ' ' THR . 8.6 m-80 -134.53 66.93 71.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CD2' HG13 ' A' ' 75' ' ' ILE . 69.5 t80 -39.54 -53.65 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.559 HG13 ' CD2' ' A' ' 74' ' ' TYR . 50.4 mt -109.4 106.4 58.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 100.73 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 114.88 36.56 1.24 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.2 t -100.95 114.29 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -60.84 -15.09 26.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.0 ttt -58.93 92.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.81 69.48 10.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 16.9 t80 -114.99 129.55 56.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.56 -58.26 15.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.503 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 119.28 144.88 7.47 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.006 HD21 HD21 ' A' ' 9' ' ' LEU . 1.4 mt -75.7 -170.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -150.69 -58.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.6 mmmt -60.99 90.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -38.43 -36.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -47.75 -62.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.631 ' HB3' HD11 ' A' ' 9' ' ' LEU . 4.0 m-20 -63.23 -44.94 93.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.421 ' NH1' ' OG1' ' A' ' 69' ' ' THR . 15.6 mtm180 -50.75 -41.78 56.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -74.81 -42.15 58.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' A' ' 96' ' ' THR . 90.4 m-20 -55.57 -66.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.109 HD22 HD22 ' A' ' 9' ' ' LEU . 14.6 tp -39.86 -58.48 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 65' ' ' SER . 87.4 mt -42.04 -45.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.504 HG22 ' OG ' ' A' ' 2' ' ' SER . 0.8 OUTLIER -65.46 -55.01 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 7' ' ' ALA . 40.5 t80 -56.71 -40.97 76.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -56.32 -44.93 80.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.74 -46.06 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -46.23 16.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.941 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -48.87 -48.02 42.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 33' ' ' HIS . 6.6 p -74.88 -30.72 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.511 0.196 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.54 20.26 10.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' -1' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . 58.73 158.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -115.9 -33.6 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.16 167.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 110.045 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.46 64.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -126.49 119.19 26.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER 38.26 38.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.03 -55.95 0.86 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.501 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -55.76 -55.52 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.34 -20.46 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.874 HD22 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.46 -77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 58.1 t80 -41.77 -46.12 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.81 -28.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.573 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -129.75 127.26 40.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.573 ' CB ' ' O ' ' A' ' 12' ' ' THR . 1.2 mmt180 90.04 22.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.1 m -155.48 -67.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.3 mp -42.67 -42.04 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -42.7 -27.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' HG11 ' A' ' 28' ' ' VAL . 74.2 m -114.1 -59.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 126.861 3.219 . . . . 0.0 108.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -101.41 167.15 10.35 Favored 'General case' 0 C--N 1.381 1.963 0 O-C-N 118.148 -2.845 . . . . 0.0 115.087 -163.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.2 p -141.95 115.59 9.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 111.099 -2.773 . . . . 0.0 110.385 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.58 -23.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -61.8 162.35 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.55 ' CD ' ' NE2' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -88.31 170.51 10.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.39 58.99 3.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.15 147.19 18.36 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.18 32.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 32.0 m-70 -77.88 111.44 13.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 -111.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.497 HG11 ' SG ' ' A' ' 17' ' ' CYS . 90.1 t -84.43 -30.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.76 155.0 20.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -75.03 139.08 23.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.951 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.3 m120 -49.96 118.18 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 35' ' ' ILE . 45.0 mt -72.06 -67.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.55 ' NE2' ' CD ' ' A' ' 22' ' ' LYS . 1.5 t-80 73.93 -138.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.58 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -87.29 59.1 4.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.46 -149.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 51.2 m-85 55.53 100.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 127.26 -32.14 3.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.458 ' NE ' ' OE1' ' A' ' 42' ' ' GLN . 4.9 mmt180 -85.46 171.29 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.685 ' CD2' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -93.44 111.15 22.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.545 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.469 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 84.1 p 40.84 -162.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.531 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -48.73 130.25 22.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' OE1' ' NE ' ' A' ' 38' ' ' ARG . 9.3 mt-30 -135.02 34.5 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.566 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -72.34 -14.22 61.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 43' ' ' ALA . 2.6 tm-20 33.61 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.83 -46.77 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 4.3 t80 -53.48 140.66 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.6 p -66.08 79.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CB ' HD12 ' A' ' 53' ' ' ILE . 3.4 m-85 -80.17 178.07 8.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 p -115.31 -152.2 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.74 23.34 11.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.33 -56.67 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -63.61 -82.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.582 HD12 ' CB ' ' A' ' 48' ' ' TYR . 14.8 mt -38.67 -32.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' ' C ' ' A' ' 52' ' ' ASN . 12.9 mmtt -84.12 47.86 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.627 ' HD3' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -137.6 -46.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.607 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER 59.9 32.18 21.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.86 HG11 ' CH2' ' A' ' 59' ' ' TRP . 14.4 p -72.34 90.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.685 HD12 ' CD2' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -52.27 96.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.86 ' CH2' HG11 ' A' ' 57' ' ' VAL . 51.5 m95 -58.28 145.48 37.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 108.028 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -141.49 -60.38 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.838 ' HG2' HG21 ' A' ' 95' ' ' ILE . 11.5 tt0 -178.71 -55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' SER . 3.4 m-20 -84.28 -56.3 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.621 ' ND2' HG22 ' A' ' 57' ' ' VAL . 1.1 p-10 -40.59 -40.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.59 ' SD ' ' CE1' ' A' ' 36' ' ' PHE . 34.7 ttm -63.51 -44.97 92.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.734 ' HB2' HD11 ' A' ' 95' ' ' ILE . 11.2 t -53.95 -51.75 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -43.74 -48.55 8.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 8.3 t80 -67.62 -48.3 67.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -45.69 -45.43 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.526 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -60.56 -56.59 19.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.526 ' N ' HG22 ' A' ' 69' ' ' THR . 1.4 m120 -124.95 75.3 66.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -41.99 -39.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.627 HD13 ' HD3' ' A' ' 55' ' ' LYS . 23.8 mm -112.68 95.85 34.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 90.56 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.59 38.62 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.462 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.6 t -105.65 115.22 29.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -58.58 -17.75 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.4 ttt -57.73 91.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.91 84.92 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -120.82 132.31 54.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.86 -53.88 34.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.36 118.54 3.07 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.2 mt -61.73 165.11 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.46 -53.55 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' GLU . 7.4 mmmt -55.57 98.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -37.0 -63.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' ASN . 10.7 mttt -44.42 -56.24 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -44.6 -32.65 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.715 ' O ' HD12 ' A' ' 95' ' ' ILE . 12.8 mtm180 -79.65 -38.6 33.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' LYS . 13.7 m-20 -69.3 -34.21 74.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -69.17 -44.93 71.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.874 HD13 HD22 ' A' ' 9' ' ' LEU . 7.4 tp -57.0 -67.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.838 HG21 ' HG2' ' A' ' 61' ' ' GLU . 6.9 mt -40.7 -51.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.56 -52.13 18.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.501 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 60.8 t80 -71.28 -41.63 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.416 HD12 ' HG ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -55.48 -52.96 61.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -35.4 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 103' ' ' GLU . 44.3 tttm -74.49 -62.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.73 31.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.6 p -62.75 -25.9 68.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 100' ' ' LYS . 22.3 pt-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.454 0.168 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.76 130.87 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -71.76 155.61 40.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.416 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . -115.05 -141.07 7.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 168.47 75.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.03 52.12 5.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.3 101.57 10.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt 41.53 49.92 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.54 -45.51 2.5 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -64.36 -58.51 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.26 -26.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.97 HD22 HD13 ' A' ' 94' ' ' LEU . 8.0 tt -71.43 -77.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.541 ' O ' ' C ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -43.15 -48.72 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 10' ' ' PHE . 3.0 ttpp -29.82 -73.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 12' ' ' THR . 1.2 m -109.48 60.61 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.806 ' NH1' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -146.84 -60.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -35.57 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD22 ' HA ' ' A' ' 11' ' ' LYS . 4.5 tp -43.43 -36.86 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -48.65 -33.42 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 87.7 m -104.62 -55.44 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 126.812 3.196 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -105.03 162.77 13.08 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 118.151 -2.843 . . . . 0.0 115.15 -163.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.565 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -111.7 115.86 29.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 111.127 -2.761 . . . . 0.0 110.41 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.943 HG23 ' HB1' ' A' ' 101' ' ' ALA . 2.6 p -86.21 -30.86 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -59.51 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.68 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 2.8 ttpt -123.22 -63.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.63 56.56 2.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.26 128.28 6.12 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 159.94 40.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.537 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 16.2 m-70 -73.5 141.63 46.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.613 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -122.33 -97.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 77.0 t -89.99 -23.61 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.94 163.41 26.99 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 159.67 40.95 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.565 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.9 OUTLIER -64.67 138.42 58.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 35' ' ' ILE . 18.9 mt -92.77 -47.37 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.68 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -37.86 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.584 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.5 -25.09 4.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.5 pp -60.26 -158.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.739 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.2 m-85 57.83 93.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 121.51 -14.17 9.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.438 1.086 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 38' ' ' ARG . 1.1 mpt_? -111.99 165.33 12.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 110.375 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.424 ' ND1' HD12 ' A' ' 58' ' ' LEU . 1.6 m80 -89.06 146.32 24.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.45 ' HB3' HG23 ' A' ' 57' ' ' VAL . 91.0 p -37.86 140.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.67 93.22 0.37 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.117 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -126.51 3.5 6.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 0.803 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -116.71 126.82 53.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -99.72 -48.87 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.253 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.91 -40.52 73.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.537 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 10.3 t80 -94.29 121.58 35.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 89.9 p -62.02 139.73 58.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.547 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -106.4 -177.96 3.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -85.94 157.76 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.62 12.99 13.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.08 -45.88 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 55' ' ' LYS . 13.1 t-20 -60.73 -71.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.3 mt -39.79 -33.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' ASN . 6.5 mmtp -87.52 45.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -141.73 -48.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 58.39 86.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.661 HG11 ' HE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -126.21 102.57 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.514 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.1 tt -62.7 79.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.519 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 53.9 m95 -33.42 142.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.602 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 t0 -148.83 -72.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -169.39 -66.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.85 -46.6 68.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -48.1 -65.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.519 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -47.81 -52.09 20.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.803 ' OG ' HD11 ' A' ' 95' ' ' ILE . 5.5 t -44.59 -46.68 10.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -56.44 -42.93 78.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.659 ' CE1' HD12 ' A' ' 75' ' ' ILE . 25.4 t80 -72.66 -30.53 64.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 65' ' ' SER . 76.3 mt -65.34 -45.88 82.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 66' ' ' GLU . 4.2 t -70.27 -44.5 68.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -130.76 73.32 81.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.498 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.661 ' HE2' HG11 ' A' ' 57' ' ' VAL . 25.4 t80 -40.27 -54.17 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.659 HD12 ' CE1' ' A' ' 67' ' ' TYR . 82.5 mt -108.4 107.91 60.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.49 4.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.27 42.53 5.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 78' ' ' THR . 5.1 t -93.68 108.97 20.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -44.44 -27.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 78' ' ' THR . 21.4 ttt -58.75 93.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.03 62.8 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -99.97 144.64 28.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -71.23 95.88 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.61 117.33 1.16 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD21 ' NH1' ' A' ' 13' ' ' ARG . 6.0 mt -69.23 179.23 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -150.86 -55.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.34 92.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' LYS . 5.2 mt-10 -44.23 -33.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -45.24 -66.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -46.51 81.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -47.51 -37.88 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -71.34 -59.85 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -44.34 -51.32 8.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.97 HD13 HD22 ' A' ' 9' ' ' LEU . 11.5 tp -53.5 -67.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.803 HD11 ' OG ' ' A' ' 65' ' ' SER . 53.3 mt -39.62 -54.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -42.47 -48.76 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 100' ' ' LYS . 13.8 t80 -79.2 -45.75 19.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.545 HD23 ' HG ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -43.78 -52.16 6.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.37 -39.45 57.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 103' ' ' GLU . 4.8 tmmm? -72.65 -44.55 61.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.943 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . -42.49 -43.91 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -83.95 -28.25 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.59 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 6.5 t80 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 101.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.57 156.15 27.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -90.88 -117.09 1.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p 176.77 -70.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.22 -178.92 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.73 54.01 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -179.01 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.91 -42.02 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -57.23 -59.34 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.13 -22.15 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.908 HD22 HD13 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -67.8 -80.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' LEU . 11.5 t80 -37.31 -39.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -45.63 -44.55 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 67.9 p -124.41 142.84 50.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' THR . 3.1 mmt180 79.95 19.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -158.49 -68.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 11' ' ' LYS . 13.5 mt -45.83 -43.49 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -47.43 -24.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.0 m -110.8 -56.82 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 126.831 3.205 . . . . 0.0 108.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -110.3 174.26 5.94 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 118.174 -2.828 . . . . 0.0 115.105 -163.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.547 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 20.5 p -148.41 124.01 10.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 111.078 -2.783 . . . . 0.0 110.426 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.12 -21.96 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.03 179.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 7.2 tttm -115.4 154.12 29.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 77.0 21.53 73.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.519 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -63.73 133.46 40.98 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.03 14.8 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 22.3 m-70 72.65 127.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.633 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -122.59 -99.01 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.5 t -85.94 -37.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.38 160.69 23.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.97 140.52 25.64 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.547 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 1.4 m-80 -57.48 119.33 6.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' A' ' 35' ' ' ILE . 78.9 mt -70.49 -66.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.8 OUTLIER 76.69 -136.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.606 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -91.2 59.56 3.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -61.75 -142.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.427 0.722 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 60' ' ' ASP . 26.7 m-85 52.09 103.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.46 -57.0 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 58' ' ' LEU . 18.2 mmt85 -70.54 179.32 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.594 ' CD2' HD12 ' A' ' 58' ' ' LEU . 1.7 m-70 -105.35 121.88 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.496 ' O ' ' C ' ' A' ' 41' ' ' GLY . 51.5 p 35.81 -153.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 40' ' ' SER . . . -30.16 129.45 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.562 1.164 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 46.3 mt-30 -114.95 -0.37 13.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.25 153.67 48.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' GLY . 36.5 mt-10 -108.64 -37.58 5.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' GLU . . . -37.87 -53.69 1.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.577 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -72.8 129.2 37.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.987 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.6 p -73.45 86.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.65 ' CB ' HD12 ' A' ' 53' ' ' ILE . 3.7 m-85 -62.06 -179.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -103.26 177.61 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.74 22.22 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -115.54 -58.8 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.31 -74.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.65 HD12 ' CB ' ' A' ' 48' ' ' TYR . 4.9 mt -41.23 -37.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -85.62 46.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 -47.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 57.68 68.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.69 HG11 ' HE2' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -107.66 106.0 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.594 HD12 ' CD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -57.94 81.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.563 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 43.3 m95 -39.25 135.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 107.979 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 5.8 t0 -154.35 -156.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE2' ' CD2' ' A' ' -3' ' ' PHE . 29.0 tt0 -83.49 -27.01 29.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -113.72 -36.95 4.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -45.84 -62.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.563 ' HG3' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -60.04 -39.53 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.474 ' OG ' ' CD1' ' A' ' 95' ' ' ILE . 16.1 m -51.21 -45.29 61.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.49 -43.67 98.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.569 ' CE1' HD12 ' A' ' 75' ' ' ILE . 9.5 t80 -70.12 -54.75 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.49 -38.0 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.438 ' OG1' ' NH1' ' A' ' 91' ' ' ARG . 0.7 OUTLIER -62.9 -46.73 86.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -140.1 73.01 32.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.69 ' HE2' HG11 ' A' ' 57' ' ' VAL . 53.6 t80 -37.59 -48.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 67' ' ' TYR . 64.8 mt -111.02 100.77 47.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 98.26 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.521 1.801 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.53 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 119.78 35.21 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.8 t -95.6 111.11 23.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -19.19 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.3 ttt -59.94 95.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.86 59.58 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -97.01 -66.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.51 -65.81 0.5 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.51 148.48 7.07 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.0 mt -86.57 -169.48 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -147.17 -47.79 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -65.41 92.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.0 -32.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -46.85 -64.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.18 -47.12 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 86' ' ' LYS . 5.5 mtm180 -47.66 -44.15 26.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -70.17 -60.38 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 96' ' ' THR . 72.0 m-20 -40.39 -45.18 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.908 HD13 HD22 ' A' ' 9' ' ' LEU . 7.0 tp -54.04 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.474 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 8.4 mt -43.24 -28.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 0.5 OUTLIER -70.54 -47.08 62.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 52.3 t80 -75.58 -44.55 42.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -55.48 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -51.33 -28.97 13.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -65.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.23 -50.83 48.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' HIS . 40.8 m -66.8 -32.13 73.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' -3' ' ' PHE . 9.3 t80 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.481 0.182 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -82.4 103.44 11.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -41.47 158.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.416 ' HA3' HG21 ' A' ' 96' ' ' THR . . . -107.77 -125.2 5.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p -168.45 170.42 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.16 53.54 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.59 58.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -174.55 -40.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.22 -38.43 5.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.561 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -49.36 -61.48 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -16.98 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.964 HD22 ' HG ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -75.59 -76.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 36.1 t80 -35.79 -47.2 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.532 ' HG3' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -46.75 -49.17 20.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -106.91 123.95 48.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 87.61 23.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.75 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.639 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 mp -46.13 -40.64 11.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -48.6 -25.41 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.7 m -110.88 -56.99 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 126.855 3.217 . . . . 0.0 108.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -108.5 176.01 5.27 Favored 'General case' 0 C--N 1.381 1.939 0 O-C-N 118.165 -2.834 . . . . 0.0 115.126 -163.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.623 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -139.82 135.25 32.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.091 -2.777 . . . . 0.0 110.398 -179.381 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -86.68 -39.21 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 11.1 mttt -127.74 -57.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -40.14 -33.73 0.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.23 124.37 34.93 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.595 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 44.6 m-70 -87.51 135.5 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -123.22 -98.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -95.06 -24.61 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.38 155.46 23.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.76 31.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.623 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.5 OUTLIER -55.54 127.85 31.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.1 mt -85.74 -64.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER 70.87 -147.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.604 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -78.49 59.56 4.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.29 -143.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.695 ' CE1' ' HE2' ' A' ' 64' ' ' MET . 24.7 m-85 57.38 115.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.01 -31.44 6.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 13.4 mmt-85 -87.96 170.86 10.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' SER . 19.3 m80 -100.05 115.52 29.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.498 ' HB3' HG12 ' A' ' 57' ' ' VAL . 79.7 p 37.37 -155.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -35.21 151.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 26.2 mt-30 -141.04 28.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.54 150.66 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -109.31 -35.41 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.87 -53.27 3.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -72.85 129.36 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.3 p -64.85 81.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CE2' ' HA3' ' A' ' 41' ' ' GLY . 1.9 m-85 -67.84 -176.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 p -109.14 -176.41 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.367 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.79 22.02 16.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -112.69 -57.94 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -60.01 -73.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.407 HD12 ' HB3' ' A' ' 48' ' ' TYR . 19.5 mt -39.76 -38.24 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -86.94 46.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -139.75 -46.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER 69.27 21.05 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.5 p -49.74 92.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ASN . 1.7 tt -58.39 99.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CE3' ' HG2' ' A' ' 64' ' ' MET . 53.8 m95 -63.03 136.39 57.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.555 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 t70 -145.95 -153.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 95' ' ' ILE . 1.0 OUTLIER -87.65 -25.77 23.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -116.47 -42.98 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -41.2 -57.44 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.695 ' HE2' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -58.62 -42.42 88.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.634 ' CB ' HD11 ' A' ' 95' ' ' ILE . 5.6 t -47.37 -40.0 16.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -49.33 61.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.477 ' CE1' HD12 ' A' ' 75' ' ' ILE . 23.8 t80 -61.28 -57.58 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.6 mt -45.09 -42.22 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.518 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -58.77 -60.01 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.518 ' N ' HG22 ' A' ' 69' ' ' THR . 1.0 OUTLIER -132.59 75.86 72.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.457 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.484 ' CD2' HG13 ' A' ' 75' ' ' ILE . 75.7 t80 -37.4 -50.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 74' ' ' TYR . 32.8 mt -108.8 101.57 44.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 81.97 2.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.536 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 137.73 44.11 0.08 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 78' ' ' THR . 0.9 OUTLIER -109.49 113.95 27.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.411 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -14.16 33.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 19.1 ttt -60.29 97.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.95 62.11 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -99.5 130.12 45.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -43.87 -59.76 3.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.93 111.22 2.74 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.65 169.01 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' O ' ' NE ' ' A' ' 91' ' ' ARG . 14.8 mtmm -152.78 -48.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -64.12 104.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -41.63 -31.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.84 -67.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.23 -48.2 79.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.532 ' O ' HD12 ' A' ' 95' ' ' ILE . 8.4 mtm180 -48.09 -42.04 27.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -68.42 -58.9 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -44.08 -54.02 5.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.964 ' HG ' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -56.55 -68.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.634 HD11 ' CB ' ' A' ' 65' ' ' SER . 11.7 mt -40.4 -36.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.416 HG21 ' HA3' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -66.27 -49.5 66.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 34.6 t80 -73.56 -50.8 19.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.639 HD23 HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -45.21 -50.26 11.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.177 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -55.55 -35.28 65.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLU . 2.1 tmtt? -78.51 -66.2 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -45.81 -47.97 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 38.9 p -68.3 -28.43 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 100' ' ' LYS . 16.7 pt-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' -3' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.47 0.176 . . . . 0.0 110.975 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -93.26 131.13 38.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -91.75 155.63 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -102.99 -38.17 2.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.94 -72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.001 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.25 32.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HG3' ' CA ' ' A' ' 1' ' ' GLY . 3.2 mmtp -69.58 -158.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.14 58.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.7 -53.6 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.8 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . . . -57.25 -52.34 65.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.736 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -18.88 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.926 HD22 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -71.48 -77.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.628 ' CD2' HD13 ' A' ' 15' ' ' LEU . 41.6 t80 -37.06 -43.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.707 ' HA ' HD22 ' A' ' 15' ' ' LEU . 2.0 ttmt -40.21 -42.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.2 p -123.78 148.99 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 12' ' ' THR . 5.7 mmt180 77.54 8.08 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.31 -63.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.707 HD22 ' HA ' ' A' ' 11' ' ' LYS . 2.5 tp -46.94 -42.24 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -49.52 -22.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -114.3 -58.14 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 126.876 3.227 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' CE1' ' HA3' ' A' ' 29' ' ' GLY . 93.1 m-70 -109.82 170.15 8.26 Favored 'General case' 0 C--N 1.382 1.982 0 O-C-N 118.126 -2.859 . . . . 0.0 115.126 -163.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.408 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 11.7 p -135.82 113.15 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.457 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.683 HG21 ' CB ' ' A' ' 101' ' ' ALA . 9.7 p -73.14 -29.05 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 3.1 mt-10 -61.83 160.78 11.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.549 ' CG ' ' NE2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -69.44 -163.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.23 41.34 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.4 ' HA3' ' OD1' ' A' ' 31' ' ' ASN . . . -60.47 119.1 17.13 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.79 20.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 12.6 m-70 69.41 107.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -115.94 -98.97 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.89 -33.32 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CE1' ' A' ' 18' ' ' HIS . . . -138.59 161.25 25.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -75.02 143.35 28.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.56 1.821 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.7 t30 -41.88 151.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.646 ' HB3' HD12 ' A' ' 35' ' ' ILE . 55.8 mt -128.64 49.98 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' CG ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -47.93 90.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.606 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 24.6 49.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.723 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -38.59 120.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 5.7 m-85 -178.76 122.57 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.14 4.68 57.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.984 ' O ' HD12 ' A' ' 58' ' ' LEU . 23.7 mmt-85 -121.76 176.22 5.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.786 . . . . 0.0 110.333 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.896 ' CE1' HD13 ' A' ' 58' ' ' LEU . 94.0 m-70 -103.32 115.86 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.581 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.462 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 79.4 p 38.56 -158.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -56.85 126.75 42.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -120.41 50.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.8 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -128.2 131.43 48.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -98.73 -52.35 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.17 -48.7 2.12 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -79.91 122.8 27.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 110.994 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.0 p -65.51 83.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.8 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 2.0 m-85 -62.7 -173.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 111.052 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.6 p -109.79 176.48 5.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.23 22.55 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -114.6 -57.06 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' ND2' HD13 ' A' ' 75' ' ' ILE . 0.4 OUTLIER -62.82 -77.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 48' ' ' TYR . 31.6 mt -39.25 -32.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 52' ' ' ASN . 5.9 mmtp -85.01 47.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.42 -47.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER 66.96 10.89 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.627 HG13 ' CZ2' ' A' ' 59' ' ' TRP . 3.0 p -50.88 92.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.984 HD12 ' O ' ' A' ' 38' ' ' ARG . 11.7 tp -54.83 115.96 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.644 ' CE3' ' HE2' ' A' ' 64' ' ' MET . 46.0 m95 -80.19 117.86 21.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 41.5 t0 -114.65 -65.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.473 ' CG ' ' CG2' ' A' ' 95' ' ' ILE . 36.0 tt0 -179.0 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ASN . 4.8 t-20 -95.77 -63.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 58' ' ' LEU . 6.0 p-10 -39.87 -42.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.644 ' HE2' ' CE3' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -48.23 -49.23 33.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.625 ' OG ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -61.47 -49.47 76.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' HG22 ' A' ' 69' ' ' THR . 1.0 OUTLIER -39.61 -32.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.969 ' CE1' HD12 ' A' ' 75' ' ' ILE . 7.7 t80 -86.23 -50.88 6.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.8 mt -42.85 -44.23 4.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 66' ' ' GLU . 3.6 t -64.89 -45.32 86.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.4 ' OD1' ' CB ' ' A' ' 73' ' ' LYS . 6.6 t-20 -129.01 73.43 81.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.493 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' TYR . 6.1 tttp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.481 ' OH ' HG23 ' A' ' 57' ' ' VAL . 2.1 t80 -37.14 -48.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.969 HD12 ' CE1' ' A' ' 67' ' ' TYR . 85.8 mt -110.21 99.73 41.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 89.98 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.541 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 125.87 40.36 0.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 80' ' ' MET . 0.7 OUTLIER -103.24 117.09 33.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.413 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -66.38 -10.51 44.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.463 ' HB3' HG23 ' A' ' 78' ' ' THR . 12.1 ttt -59.74 95.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.3 68.69 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.51 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 20.2 t80 -124.55 153.66 41.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.16 98.71 1.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.51 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . -39.08 118.76 0.86 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.85 -56.35 14.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm 77.07 42.12 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLU . 33.0 mmtp -131.61 79.08 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.4 OUTLIER -38.19 -34.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -68.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -65.69 -55.13 19.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -42.8 -44.56 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 36.6 m-20 -53.68 -47.58 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.2 -56.67 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.926 HD12 HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -55.24 -58.05 9.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.625 HD11 ' OG ' ' A' ' 65' ' ' SER . 68.4 mt -40.47 -29.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.444 ' N ' ' C ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -87.36 -50.08 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.8 ' CE2' ' HB2' ' A' ' 7' ' ' ALA . 58.3 t80 -58.97 -45.3 90.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.677 HD12 HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -55.2 -42.3 73.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 5.0 ttpp -64.1 -13.41 47.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.15 -25.8 13.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.683 ' CB ' HG21 ' A' ' 20' ' ' VAL . . . -49.46 -51.08 38.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.5 p -51.47 -21.61 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' -2' ' ' LYS . 3.5 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.505 0.193 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -2' ' ' LYS . . . . . 0.6 ' O ' ' CZ ' ' A' ' -3' ' ' PHE . 1.1 tptm -88.45 161.4 17.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -86.96 163.96 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.556 ' CA ' HG21 ' A' ' 96' ' ' THR . . . -120.52 97.56 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -83.57 51.14 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 0.74 . . . . 0.0 109.974 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 4' ' ' LYS . . . 43.33 -164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 20.0 pttp 39.71 67.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 164.86 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.53 -41.33 5.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -59.79 -73.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.11 -29.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.014 HD22 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -65.21 -77.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.725 ' CD2' HD13 ' A' ' 15' ' ' LEU . 56.5 t80 -40.86 -27.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.74 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.5 ttmt -58.18 -44.45 88.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.9 p -122.38 146.43 47.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.438 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 76.83 7.59 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.1 m -147.08 -66.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.299 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.74 HD22 ' HA ' ' A' ' 11' ' ' LYS . 1.5 tp -44.71 -34.86 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -48.94 -23.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.2 m -109.79 -56.1 2.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 126.795 3.188 . . . . 0.0 108.303 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -109.91 176.18 5.16 Favored 'General case' 0 C--N 1.381 1.95 0 O-C-N 118.178 -2.826 . . . . 0.0 115.127 -163.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.552 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -135.55 126.64 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 111.078 -2.783 . . . . 0.0 110.39 -179.392 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.782 ' CG2' ' HB1' ' A' ' 101' ' ' ALA . 4.1 p -86.6 -33.27 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.19 157.89 33.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.564 ' HD2' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -73.96 -170.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.57 59.61 1.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.28 126.57 5.43 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 124.64 8.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.7 m-70 -46.07 144.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -132.86 -94.18 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.3 t -95.74 -27.84 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.53 160.39 26.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.04 143.54 29.06 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -52.95 133.21 38.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.9 24.62 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HD2' ' A' ' 22' ' ' LYS . 53.2 t60 -80.59 94.86 6.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.494 ' O ' ' NE2' ' A' ' 42' ' ' GLN . . . 102.25 57.74 0.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.563 1.164 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.751 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.3 pp -116.0 -161.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.751 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 m-85 59.65 116.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.82 27.32 6.72 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.547 ' O ' HD12 ' A' ' 58' ' ' LEU . 20.8 mmt180 -151.35 -173.63 4.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.626 ' NE2' HD13 ' A' ' 58' ' ' LEU . 5.1 m80 -106.48 155.87 19.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.64 ' HB3' HG12 ' A' ' 57' ' ' VAL . 77.5 p -39.56 129.4 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.593 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 102.54 76.5 1.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.5 ' NE2' ' HA ' ' A' ' 35' ' ' ILE . 4.4 mt-30 -111.44 35.13 3.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.625 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -142.17 134.82 28.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -110.59 91.29 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.51 -47.01 0.89 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 1.3 t80 -55.45 131.62 46.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -72.96 94.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.625 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 2.8 m-85 -77.99 175.45 10.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 p -101.7 173.97 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.51 23.21 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.33 -54.74 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 55' ' ' LYS . 24.2 t30 -63.2 -77.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 48' ' ' TYR . 15.9 mt -41.5 -34.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -87.75 43.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -141.94 -47.01 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 1.3 t-20 83.24 39.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.64 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.7 p -72.04 88.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.626 HD13 ' NE2' ' A' ' 39' ' ' HIS . 7.0 tp -63.09 99.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.418 ' CZ3' ' CD2' ' A' ' 67' ' ' TYR . 43.5 m95 -62.09 118.59 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 108.007 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.563 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -136.44 -70.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -169.15 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -61.33 -35.64 77.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -63.09 -60.96 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 36' ' ' PHE . 29.1 ttm -53.62 -42.77 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.518 ' OG ' HD11 ' A' ' 95' ' ' ILE . 29.1 t -51.48 -44.83 62.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.05 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -61.26 -37.83 84.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.576 ' CE1' HG13 ' A' ' 75' ' ' ILE . 15.4 t80 -73.27 -35.16 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.8 mt -67.72 -47.62 68.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.1 t -68.56 -44.11 75.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -130.17 73.86 80.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.496 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.467 1.772 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 tptt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -38.42 -49.15 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 67' ' ' TYR . 6.6 mm -102.33 107.2 52.44 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 99.97 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.446 1.761 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.8 54.0 1.58 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.452 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.8 t -106.0 115.01 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -52.22 -22.5 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.4 ttt -59.85 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -89.81 78.03 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -106.73 135.64 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -38.46 -55.13 2.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.13 104.03 2.7 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' A' ' 91' ' ' ARG . 83.2 mt -50.53 179.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' O ' ' NH2' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -162.59 -48.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -69.35 88.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' HG3' ' NH2' ' A' ' 91' ' ' ARG . 1.5 mt-10 -40.39 -31.31 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -65.54 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.01 -44.86 83.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.554 ' HG2' HD13 ' A' ' 85' ' ' LEU . 10.4 mtm180 -54.22 -42.3 69.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.427 HD21 ' HD1' ' A' ' -3' ' ' PHE . 27.0 m120 -66.99 -49.19 66.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -49.45 -49.47 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.014 HD12 HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -72.88 -55.84 6.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.518 HD11 ' OG ' ' A' ' 65' ' ' SER . 26.0 mt -39.42 -30.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.556 HG21 ' CA ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -83.88 -50.36 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 94' ' ' LEU . 54.3 t80 -63.76 -49.88 71.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.883 HD12 HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -50.77 -40.83 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -35.96 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' GLU . 14.4 ttmm -82.25 -44.17 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.782 ' HB1' ' CG2' ' A' ' 20' ' ' VAL . . . -40.23 -41.24 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -27.81 17.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 100' ' ' LYS . 7.3 pt-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 8.1 t80 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.483 0.182 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -118.64 138.14 52.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.05 156.07 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -138.93 -63.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 3.2 p 79.88 106.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 110.035 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.15 67.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.55 51.27 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.72 59.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.98 -49.03 1.52 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -61.87 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.739 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -28.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.951 HD22 ' CD1' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -80.93 -76.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.68 ' HB2' HD21 ' A' ' 94' ' ' LEU . 58.1 t80 -39.59 -53.4 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.9 tptt -39.92 -29.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.561 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -122.56 127.31 49.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.561 ' CB ' ' O ' ' A' ' 12' ' ' THR . 2.0 mmt180 89.26 19.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.4 m -155.56 -64.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.6 mp -43.64 -37.32 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -45.78 -25.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.623 ' SG ' HG11 ' A' ' 28' ' ' VAL . 99.3 m -117.87 -60.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 126.904 3.24 . . . . 0.0 108.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -100.58 149.35 23.82 Favored 'General case' 0 C--N 1.382 1.993 0 O-C-N 118.109 -2.869 . . . . 0.0 115.122 -163.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.7 p -124.91 124.48 42.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 111.096 -2.774 . . . . 0.0 110.408 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.056 HG21 ' HB1' ' A' ' 101' ' ' ALA . 2.5 p -85.64 -7.06 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.47 156.11 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.601 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -71.62 179.26 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.73 58.58 5.35 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -95.17 118.75 5.96 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.92 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 27.0 m-70 72.44 126.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.547 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 -100.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.623 HG11 ' SG ' ' A' ' 17' ' ' CYS . 82.9 t -87.23 -34.56 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.51 161.79 23.68 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.99 134.31 17.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.556 1.819 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.525 ' ND2' ' HA3' ' A' ' 24' ' ' GLY . 1.7 m-80 -47.46 119.15 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 33' ' ' HIS . 22.5 mt -66.82 -48.27 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.606 ' CG ' ' O ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -37.51 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.67 -20.6 4.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.692 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.8 pp -66.21 -166.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 0.777 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 2.6 m-85 57.92 107.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.46 4.66 8.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -150.28 -168.22 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.509 ' CE1' HD13 ' A' ' 58' ' ' LEU . 1.5 m80 -101.3 174.44 5.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.614 ' HB3' HG12 ' A' ' 57' ' ' VAL . 57.7 p -49.25 131.61 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 95.05 78.51 1.42 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -111.5 23.35 14.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.501 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -125.71 137.65 53.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -114.39 -11.47 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.5 3.77 37.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -123.25 128.78 50.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -75.05 127.47 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 5.2 m-85 -104.13 -172.09 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 p -117.79 -171.39 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.1 24.32 10.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.85 -56.74 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' LYS . 36.3 t-20 -59.92 -73.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 52' ' ' ASN . 20.6 mt -39.78 -33.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -86.46 46.54 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -129.55 -45.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.49 32.61 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.7 p -75.5 92.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.509 HD13 ' CE1' ' A' ' 39' ' ' HIS . 3.9 tp -64.78 99.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.529 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 45.1 m95 -61.0 114.92 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.026 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' C ' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -136.79 -66.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -175.93 -76.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -59.06 -46.52 88.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.413 HD21 HG23 ' A' ' 57' ' ' VAL . 18.1 t30 -54.02 -56.09 21.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.62 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 3.5 tpp -48.69 -36.2 15.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 5.8 t -57.88 -33.57 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.02 -50.33 29.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.519 ' HE1' HD12 ' A' ' 75' ' ' ILE . 56.4 t80 -42.89 -42.06 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' THR . 20.7 mt -74.54 -170.36 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.5 OUTLIER 77.55 -53.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.501 ' N ' HG22 ' A' ' 69' ' ' THR . 1.8 m-20 -148.6 82.15 7.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.031 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -42.99 -57.31 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.57 HG22 ' HB ' ' A' ' 78' ' ' THR . 79.2 mt -111.52 97.93 38.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 93.05 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.34 39.89 0.46 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.57 ' HB ' HG22 ' A' ' 75' ' ' ILE . 8.2 t -110.57 112.27 24.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -44.87 -26.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 78' ' ' THR . 21.1 ttt -57.13 90.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.1 72.47 9.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.752 ' HZ ' HD23 ' A' ' 85' ' ' LEU . 11.2 t80 -117.35 106.92 13.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.06 -55.39 6.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.568 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 113.01 131.39 5.48 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.844 HD11 ' HG2' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -71.42 -25.5 62.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.78 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 50.68 36.96 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.167 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -127.18 71.14 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -38.34 -44.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.93 -58.12 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.61 -37.79 87.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.844 ' HG2' HD11 ' A' ' 85' ' ' LEU . 19.0 mtm180 -60.19 -42.26 94.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -50.41 -38.06 41.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -67.75 -53.87 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.951 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -55.87 -63.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.2 mt -40.08 -40.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.07 -50.24 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.501 ' CE2' ' HB2' ' A' ' 101' ' ' ALA . 60.6 t80 -71.13 -40.68 71.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.784 ' CD1' HD23 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -53.79 -49.31 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -44.66 -37.94 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -86.73 -51.75 5.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.056 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -44.27 -37.5 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.6 m -92.01 -26.9 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' LYS . 15.7 pt-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.444 ' CE1' HG22 ' A' ' 95' ' ' ILE . 10.0 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.489 0.185 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 131.44 55.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -81.91 156.33 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.447 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . -137.66 -134.6 3.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -157.17 172.28 18.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.952 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.37 54.03 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -172.42 59.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 93' ' ' ASP . . . -90.88 -40.26 5.61 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.41 -55.99 5.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -38.78 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.71 ' HB3' HD23 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -61.05 -75.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.67 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 51.6 t80 -44.17 -25.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.0 tmtt? -52.8 -53.91 41.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.1 p -125.02 30.33 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.524 ' HB2' HD23 ' A' ' 9' ' ' LEU . 4.5 mmt85 -144.76 40.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER 171.53 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.284 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -45.92 -36.37 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -49.75 -22.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.25 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.441 ' SG ' HG11 ' A' ' 28' ' ' VAL . 80.2 m -121.34 -60.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 126.853 3.216 . . . . 0.0 108.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.49 ' CE1' HD11 ' A' ' 32' ' ' LEU . 93.0 m-70 -104.43 154.4 19.91 Favored 'General case' 0 C--N 1.382 1.979 0 O-C-N 118.114 -2.866 . . . . 0.0 115.142 -163.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.7 p -120.4 87.95 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 111.108 -2.769 . . . . 0.0 110.379 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.853 HG23 ' HB1' ' A' ' 101' ' ' ALA . 3.4 p -48.45 -36.52 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.6 mt-10 -43.48 166.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HE3' ' HE1' ' A' ' 33' ' ' HIS . 7.3 tttt -86.17 159.4 19.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.87 57.46 3.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.98 143.36 16.17 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.84 8.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 23.2 m-70 -53.99 116.4 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -106.32 -103.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.441 HG11 ' SG ' ' A' ' 17' ' ' CYS . 85.5 t -81.5 -37.24 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.1 170.14 22.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.97 139.13 24.01 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -39.41 155.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD11 ' CE1' ' A' ' 18' ' ' HIS . 57.1 mt -130.53 51.53 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.581 ' HE1' ' HE3' ' A' ' 22' ' ' LYS . 13.3 t-160 -59.46 -131.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 102' ' ' SER . . . -78.18 55.78 3.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.446 HD13 ' O ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -60.36 -152.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 0.0 109.345 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 64' ' ' MET . 3.6 m-30 56.61 115.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.84 24.18 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.466 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 48.3 mmt-85 -149.1 -173.83 4.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.741 ' CE1' HD13 ' A' ' 58' ' ' LEU . 13.3 m80 -105.44 159.86 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -38.92 131.22 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 91.58 86.04 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 29.2 mt-30 -106.35 29.76 6.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.15 125.6 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.83 -43.68 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.32 95.52 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -81.96 124.54 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.5 p -79.29 118.74 21.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.606 ' HB2' HD11 ' A' ' 53' ' ' ILE . 5.4 m-85 -93.35 177.2 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.5 p -93.51 179.29 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.55 22.2 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB1' HG22 ' A' ' 75' ' ' ILE . . . -104.84 -62.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.434 ' HA ' HD12 ' A' ' 75' ' ' ILE . 64.0 t30 -61.61 -66.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 48' ' ' TYR . 67.1 mt -43.24 -39.71 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -87.06 46.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' NZ ' ' CZ ' ' A' ' 74' ' ' TYR . 2.0 tptm -138.74 -47.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.2 33.05 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.772 HG11 ' CH2' ' A' ' 59' ' ' TRP . 9.8 p -73.81 98.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.741 HD13 ' CE1' ' A' ' 39' ' ' HIS . 5.2 tp -63.32 110.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.772 ' CH2' HG11 ' A' ' 57' ' ' VAL . 32.1 m95 -70.72 123.21 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 7.6 t0 -127.58 -70.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 18.8 tt0 -178.08 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -90.73 -62.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.659 HD22 HG22 ' A' ' 57' ' ' VAL . 6.8 p-10 -40.07 -42.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -50.32 -55.47 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -47.29 -44.53 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -52.23 -43.82 64.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 12.9 t80 -73.27 -57.91 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.8 mt -42.18 -41.15 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -61.53 -54.39 43.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.467 ' N ' HG22 ' A' ' 69' ' ' THR . 4.6 m-80 -133.24 73.75 73.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.532 1.807 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CZ ' ' NZ ' ' A' ' 55' ' ' LYS . 38.1 t80 -38.1 -51.17 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.56 HG22 ' HB1' ' A' ' 51' ' ' ALA . 16.5 mm -92.97 112.14 54.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.413 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.07 91.02 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.38 57.18 0.8 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.7 t -98.91 109.9 22.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -27.51 19.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.3 ttt -63.06 97.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.09 75.7 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -103.03 -68.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.55 -70.58 0.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.72 156.49 7.66 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 6.4 mt -89.89 -59.41 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER 84.46 -54.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -64.54 84.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 2.3 mt-10 -40.61 -39.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -60.54 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' CG ' HD12 ' A' ' 9' ' ' LEU . 6.1 m-20 -62.76 -40.56 97.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CZ ' ' HG3' ' A' ' 88' ' ' GLU . 10.4 mtm180 -54.49 -40.22 68.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -65.21 -53.18 48.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.463 ' HB3' ' CA ' ' A' ' 6' ' ' GLY . 50.7 m-20 -53.33 -49.26 67.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.71 HD23 ' HB3' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -59.06 -61.58 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.444 HG22 ' CE1' ' A' ' -3' ' ' PHE . 45.8 mt -49.53 -42.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -44.59 -48.81 10.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.401 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -89.72 -37.9 14.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.6 HD23 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -57.35 -32.77 67.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 21.8 ttpp -36.8 -34.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -126.14 -62.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.853 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . 76.05 -5.47 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.426 ' HB2' ' CA ' ' A' ' 34' ' ' GLY . 1.5 t -94.17 -44.62 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.489 ' CG ' ' N ' ' A' ' -2' ' ' LYS . 11.1 t80 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.475 0.179 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -2' ' ' LYS . . . . . 0.489 ' N ' ' CG ' ' A' ' -3' ' ' PHE . 0.1 OUTLIER -127.32 131.06 50.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -92.28 156.05 17.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 169.93 71.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.469 ' CB ' HG22 ' A' ' 96' ' ' THR . 0.9 OUTLIER -129.43 -71.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.046 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 5' ' ' LYS . . . 40.0 -156.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 72.45 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 3' ' ' ALA . 56.6 tttt -170.93 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.55 -26.91 23.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -45.34 -36.52 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -24.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.003 HD22 HD22 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -65.42 -76.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CE2' ' HB ' ' A' ' 20' ' ' VAL . 40.6 t80 -42.26 -38.19 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.47 -39.02 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.6 p -131.34 155.42 47.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 75.98 9.83 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 m -151.0 -62.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.17 -38.69 12.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -51.09 -22.82 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.352 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.47 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 83.2 m -113.69 -59.55 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 126.889 3.233 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.723 ' CG ' HD11 ' A' ' 32' ' ' LEU . 96.9 m-70 -105.34 147.38 28.23 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 118.138 -2.852 . . . . 0.0 115.082 -163.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.5 p -110.62 102.43 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.38 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.791 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.7 p -50.57 -46.56 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -50.38 164.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.534 ' HD3' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -89.36 178.91 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.12 54.1 3.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.68 148.34 19.21 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.33 21.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.566 1.824 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 34.5 m-70 70.53 133.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -117.67 -96.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 92.8 t -89.72 -23.94 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.68 167.81 25.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.5 36.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 3.7 t-20 -61.26 148.35 41.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.723 HD11 ' CG ' ' A' ' 18' ' ' HIS . 14.0 mt -116.69 32.85 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CE1' ' HD3' ' A' ' 22' ' ' LYS . 12.3 t-80 -70.17 112.67 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' N ' ' OG ' ' A' ' 102' ' ' SER . . . 45.61 89.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -112.08 -32.24 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' N ' HG12 ' A' ' 35' ' ' ILE . 47.1 m-85 -61.89 74.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 156.21 -22.57 0.51 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 11.0 mmt85 -94.35 171.75 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -97.77 153.59 18.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.434 ' HB3' HG23 ' A' ' 57' ' ' VAL . 94.7 p -37.17 120.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.562 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 89.04 110.5 1.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.421 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 29.9 mt-30 -139.26 27.67 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -110.33 129.41 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -112.6 90.57 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.67 -46.49 1.0 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 10.9 t80 -74.9 123.64 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 0.801 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.445 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 60.1 p -59.27 132.81 55.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -107.98 -178.41 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -96.36 163.86 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.57 21.94 8.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -111.37 -50.78 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.4 t-20 -66.68 -70.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' ASN . 36.3 mt -39.35 -33.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' ASN . 15.4 mmtp -86.57 46.39 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' HA ' ' CE ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -141.49 -47.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 56.97 85.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.904 HG11 ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -129.83 101.31 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.2 tp -62.94 78.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' LEU . 56.2 m95 -32.31 133.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 107.992 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -122.81 -72.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -163.4 -70.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 65' ' ' SER . 4.8 m-20 -70.32 -29.78 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 65' ' ' SER . 3.1 t30 -47.07 -72.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 33.3 ttm -39.77 -28.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.511 ' HB2' HD11 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -64.34 -51.97 60.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.652 ' O ' HG22 ' A' ' 69' ' ' THR . 2.7 tp10 -47.05 -48.01 22.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.904 ' OH ' HG11 ' A' ' 57' ' ' VAL . 25.0 m-85 -75.08 -45.91 38.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 68' ' ' LEU . 9.9 mt -48.77 -24.69 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -95.86 -28.22 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' TYR . 10.8 t-20 -146.85 71.03 12.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tttp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.792 ' CD2' ' CE1' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -60.02 -50.46 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.962 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.2 mt -94.11 111.82 54.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.433 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.02 108.77 2.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.33 53.27 3.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 78' ' ' THR . 5.6 t -91.46 108.43 19.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -46.78 -25.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.412 ' N ' ' C ' ' A' ' 78' ' ' THR . 16.0 ttt -57.84 91.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.01 81.59 8.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -120.08 134.13 55.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -48.57 -60.35 5.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.42 118.77 2.75 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 mt -56.66 -167.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -170.34 -39.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 6.9 mmmm -73.7 92.77 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -34.67 -61.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -57.39 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.46 -35.47 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.651 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.1 mtm180 -73.21 -39.62 65.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -62.6 -46.98 85.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 96' ' ' THR . 17.1 m-20 -53.72 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.003 HD22 HD22 ' A' ' 9' ' ' LEU . 12.7 tp -46.56 -65.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 91' ' ' ARG . 19.2 mt -40.27 -31.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.469 HG22 ' CB ' ' A' ' 2' ' ' SER . 0.6 OUTLIER -79.48 -50.79 10.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.652 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 46.5 t80 -64.1 -48.32 76.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.549 HD13 ' HG ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -52.41 -48.95 65.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -45.61 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -74.38 -48.34 28.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.791 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -51.04 -43.42 60.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.368 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -66.69 -24.01 66.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.474 ' CG ' ' O ' ' A' ' -3' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.499 0.19 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' -2' ' ' LYS . . . . . 0.422 ' HB2' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -60.65 123.79 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' -1' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 1' ' ' GLY . . . -81.98 153.54 26.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.521 ' HA2' HG21 ' A' ' 96' ' ' THR . . . 39.23 93.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.61 ' HG ' ' N ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -128.98 42.21 3.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.006 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' SER . . . -37.91 102.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 1.5 mttp -154.03 43.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 88.38 54.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.95 -41.73 4.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.653 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -54.95 -55.39 31.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -18.36 16.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.741 HD22 ' CD2' ' A' ' 94' ' ' LEU . 2.8 tt -70.25 -76.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 62.8 t80 -40.37 -44.59 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.2 tppt? -40.05 -35.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.7 p -126.2 154.09 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 73.31 10.42 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.1 m -153.98 -68.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.69 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -41.16 -45.55 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -39.08 -29.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.532 ' SG ' HG11 ' A' ' 28' ' ' VAL . 72.3 m -106.42 -56.31 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 126.842 3.211 . . . . 0.0 108.266 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -104.29 175.96 5.31 Favored 'General case' 0 C--N 1.381 1.968 0 O-C-N 118.179 -2.826 . . . . 0.0 115.091 -163.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.473 HG23 ' CG ' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -142.19 141.85 32.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.378 -179.392 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG21 ' HB1' ' A' ' 101' ' ' ALA . 2.1 p -93.94 -40.42 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.03 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 1.7 tttm -105.34 155.83 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.85 -38.28 3.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -37.69 135.03 0.99 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.58 7.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 27.6 m-70 -93.6 133.12 37.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.633 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -119.8 -99.22 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.532 HG11 ' SG ' ' A' ' 17' ' ' CYS . 76.6 t -94.38 -24.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.59 158.14 25.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.01 145.61 31.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.473 ' CG ' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -57.17 128.25 36.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HB3' HD12 ' A' ' 35' ' ' ILE . 35.9 mt -84.04 -63.4 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 0.8 OUTLIER 70.15 -131.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.574 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -93.78 60.69 2.05 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.63 -147.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' A' ' 35' ' ' ILE . 62.6 m-85 57.05 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.07 29.88 5.62 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 8.7 mmt-85 -150.78 -176.38 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.751 ' CE1' HD13 ' A' ' 58' ' ' LEU . 1.7 m-70 -105.17 163.48 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.741 ' HB3' HG12 ' A' ' 57' ' ' VAL . 78.9 p -47.95 130.71 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.564 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 91.39 85.67 1.45 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 37.5 mt-30 -103.88 27.48 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 0.795 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.56 131.58 8.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -95.86 -48.52 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.22 -46.67 8.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.6 t80 -69.11 133.74 48.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 0.738 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 p -77.77 119.22 20.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.564 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 6.1 m-85 -99.86 -173.81 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.1 p -115.03 -153.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.38 22.32 12.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.1 -64.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LYS . 26.0 t-20 -58.53 -72.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ASN . 19.9 mt -40.03 -38.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -87.11 46.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' ASN . 11.6 tptt -139.79 -48.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.564 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 65.88 34.48 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.741 HG12 ' HB3' ' A' ' 40' ' ' SER . 3.2 p -68.18 92.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.751 HD13 ' CE1' ' A' ' 39' ' ' HIS . 6.9 tp -57.61 114.35 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.44 ' CZ2' HG13 ' A' ' 57' ' ' VAL . 56.9 m95 -78.15 127.77 32.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -140.07 -65.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 3.0 tt0 -168.35 -72.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ASN . 4.6 m-20 -57.91 -64.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.736 HD21 HG22 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -40.19 -58.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.803 ' SD ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -37.81 -34.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.622 ' OG ' HD11 ' A' ' 95' ' ' ILE . 2.7 t -81.72 -45.35 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.543 ' OE2' ' CD1' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -46.48 -24.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.797 ' CE1' HD12 ' A' ' 75' ' ' ILE . 56.5 t80 -93.65 -59.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.803 HD11 ' SD ' ' A' ' 64' ' ' MET . 33.0 mt -41.56 -43.47 2.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 70' ' ' ASN . 15.3 t -59.37 -49.86 76.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.419 ' N ' ' CG2' ' A' ' 69' ' ' THR . 1.0 OUTLIER -139.73 76.26 29.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tttm . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CD1' ' OE2' ' A' ' 66' ' ' GLU . 19.4 t80 -40.11 -46.89 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.797 HD12 ' CE1' ' A' ' 67' ' ' TYR . 73.5 mt -114.59 92.3 28.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 82.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.05 44.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.52 ' HB ' HG22 ' A' ' 75' ' ' ILE . 7.1 t -112.54 114.88 27.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.428 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -23.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.7 ttt -60.1 92.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.2 76.77 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CE1' ' O ' ' A' ' 83' ' ' GLY . 16.8 t80 -105.72 145.81 30.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.452 ' O ' ' CE1' ' A' ' 82' ' ' PHE . . . -72.06 99.93 0.9 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -37.53 104.36 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.97 -170.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -169.58 -42.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -54.86 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.8 pt-20 -38.26 -59.73 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.356 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ASN . 5.9 mttp -43.42 -59.72 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.09 -32.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' GLU . 9.6 mtm180 -89.2 -40.05 13.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' -2' ' ' LYS . 97.9 m-20 -49.06 -46.67 44.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.61 ' N ' ' HG ' ' A' ' 2' ' ' SER . 0.4 OUTLIER -70.41 -58.53 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.741 ' CD2' HD22 ' A' ' 9' ' ' LEU . 3.3 tp -42.72 -69.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.622 HD11 ' OG ' ' A' ' 65' ' ' SER . 9.3 mt -41.96 -28.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.521 HG21 ' HA2' ' A' ' 1' ' ' GLY . 0.3 OUTLIER -81.33 -45.66 15.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.653 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 54.3 t80 -72.71 -47.18 49.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -45.02 -47.66 11.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -66.1 -33.58 76.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -67.79 -55.99 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.401 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -65.73 -44.48 85.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 75.4 m -60.36 -32.86 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.469 0.176 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 100.81 12.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -40.53 156.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -127.65 -110.26 1.59 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -167.62 153.3 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.93 176.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.77 77.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.04 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.37 -37.85 6.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -41.4 -68.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -29.22 27.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.709 HD11 ' OD2' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -67.03 -76.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 82.8 t80 -39.3 -43.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HA ' HD22 ' A' ' 15' ' ' LEU . 3.3 ttmt -40.15 -38.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' LEU . 68.7 p -124.95 151.99 44.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 10.1 mmt180 75.88 13.83 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 13' ' ' ARG . 3.3 m -156.49 -66.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.351 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.573 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.9 tp -41.75 -40.9 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -41.95 -27.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.459 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 61.6 m -113.23 -61.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 126.916 3.246 . . . . 0.0 108.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.543 ' CE1' HD21 ' A' ' 32' ' ' LEU . 94.9 m-70 -96.97 157.75 15.75 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 118.14 -2.85 . . . . 0.0 115.124 -163.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -113.99 119.79 38.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 111.131 -2.758 . . . . 0.0 110.352 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.571 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 2.3 p -67.55 -36.59 76.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -78.13 -154.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 3.1 tttt -120.63 -42.53 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.98 63.84 0.35 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -151.98 126.58 2.08 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.56 8.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.552 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 40.8 m-70 -39.86 132.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.37 -98.86 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 56.2 t -91.79 -24.65 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.92 161.19 25.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 159.03 42.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -61.88 146.66 49.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 18' ' ' HIS . 8.4 mt -111.74 36.37 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 1.3 t60 -65.4 94.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.56 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.77 93.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.726 HD13 ' H ' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -106.56 -36.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 14.6 m-85 -60.55 75.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 160.52 -25.19 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 10.4 mmt180 -96.22 172.37 8.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -100.71 155.48 17.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' HG23 ' A' ' 57' ' ' VAL . 88.3 p -37.82 119.64 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 89.91 110.89 1.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 36.6 mt-30 -137.27 23.25 2.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.615 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -136.15 127.36 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -100.19 -54.62 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.64 -42.78 20.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.552 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 19.2 t80 -89.69 121.94 32.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 p -61.17 137.98 58.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.615 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -109.17 -176.08 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -97.82 161.44 13.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.3 20.15 6.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.16 -56.37 2.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 43.7 t30 -63.71 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.1 mt -41.05 -35.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -87.01 46.81 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -139.26 -51.39 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.87 86.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -133.43 103.57 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.0 OUTLIER -62.41 79.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.552 ' CE3' ' CE ' ' A' ' 64' ' ' MET . 57.8 m95 -33.98 123.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.574 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -121.34 -66.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.544 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 15.4 tt0 179.21 -36.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -90.7 -62.24 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.423 ' CG ' ' N ' ' A' ' 64' ' ' MET . 5.7 p-10 -41.07 -40.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.577 ' HG2' HD11 ' A' ' 68' ' ' LEU . 4.0 ttm -64.1 -59.45 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.474 ' HB2' HD11 ' A' ' 95' ' ' ILE . 53.8 p -46.08 -42.23 13.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 69' ' ' THR . 10.7 tt0 -56.73 -35.81 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.653 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 6.6 t80 -83.92 -47.23 11.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.577 HD11 ' HG2' ' A' ' 64' ' ' MET . 82.0 mt -43.45 -42.92 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 66' ' ' GLU . 4.7 t -71.63 -44.53 64.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -126.26 73.75 72.63 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.653 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.442 ' OH ' HG11 ' A' ' 57' ' ' VAL . 25.5 t80 -38.03 -49.72 1.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.417 ' CD1' ' HG3' ' A' ' 55' ' ' LYS . 21.9 mm -104.84 112.44 65.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 96.57 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.55 50.38 1.31 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.7 t -90.99 113.22 25.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 110.376 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -20.84 24.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.2 ttt -67.59 97.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.62 76.9 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -114.05 146.48 40.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.87 104.67 2.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.53 118.11 1.34 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 7.7 mt -66.25 -50.72 62.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER 51.5 31.36 7.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.499 ' N ' ' HE ' ' A' ' 91' ' ' ARG . 29.6 mmtt -127.45 86.02 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 2.4 mt-10 -38.41 -32.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -51.91 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.709 ' OD2' HD11 ' A' ' 9' ' ' LEU . 4.1 m-20 -67.91 -55.64 12.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.499 ' HE ' ' N ' ' A' ' 87' ' ' LYS . 30.4 mtm180 -38.97 -48.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 78.8 m-20 -60.08 -56.85 16.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' HB ' ' A' ' 96' ' ' THR . 85.4 m-20 -49.63 -55.2 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.494 HD13 HD22 ' A' ' 9' ' ' LEU . 9.1 tp -46.34 -67.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 65' ' ' SER . 20.2 mt -40.47 -52.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -44.08 -50.61 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.823 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 9.8 t80 -76.13 -46.99 26.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.607 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -43.45 -52.66 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -40.8 -48.72 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -78.11 -46.44 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.823 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -46.98 -49.57 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.4 p -81.77 -30.74 32.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' -2' ' ' LYS . 4.1 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.515 0.198 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' -2' ' ' LYS . . . . . 0.531 ' O ' ' CE1' ' A' ' -3' ' ' PHE . 0.0 OUTLIER -112.32 168.68 9.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -67.23 160.78 26.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 96' ' ' THR . . . -123.43 100.8 0.67 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.535 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 1.9 t -39.27 -34.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 73.71 46.12 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.69 14.22 11.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.449 ' NZ ' ' OD2' ' A' ' 93' ' ' ASP . 9.3 pttp -177.2 43.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.23 -51.64 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.18 -63.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.58 -22.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.068 HD22 HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -67.23 -77.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.85 ' CD2' HD13 ' A' ' 15' ' ' LEU . 10.8 t80 -41.22 -37.0 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -51.75 -38.8 56.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -126.79 128.26 46.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.591 ' CB ' ' O ' ' A' ' 12' ' ' THR . 2.5 mmt180 91.2 16.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 84.1 m -157.54 -74.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.85 HD13 ' CD2' ' A' ' 10' ' ' PHE . 1.2 tp -44.43 -42.11 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -38.86 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.468 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 86.0 m -110.92 -57.17 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 126.8 3.191 . . . . 0.0 108.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.485 ' CD2' HD11 ' A' ' 32' ' ' LEU . 97.8 m-70 -103.9 176.19 5.23 Favored 'General case' 0 C--N 1.381 1.938 0 O-C-N 118.179 -2.826 . . . . 0.0 115.077 -163.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.695 HG23 ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -144.19 122.98 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.419 -179.393 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.839 HG21 ' HB1' ' A' ' 101' ' ' ALA . 8.7 p -78.61 -38.45 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.2 mt-10 -42.86 165.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 52.0 tttt -72.4 -76.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.12 58.61 0.57 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.52 124.22 8.17 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.63 15.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 46' ' ' TYR . 43.9 m-70 -63.06 124.45 21.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -110.0 -102.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 78.3 t -81.6 -24.64 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.17 174.78 25.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.97 154.04 42.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.695 ' OD1' HG23 ' A' ' 19' ' ' THR . 0.8 OUTLIER -53.63 153.63 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 18' ' ' HIS . 74.9 mt -121.49 46.55 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -60.08 -128.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.39 58.34 4.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -68.8 -37.27 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.584 0.814 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 13.7 m-85 -60.82 76.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 149.0 -17.93 1.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -94.88 -177.02 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -112.25 155.66 23.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.601 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.674 ' HB3' HG12 ' A' ' 57' ' ' VAL . 94.2 p -38.87 126.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 79.67 108.5 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -136.44 10.1 3.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' A' ' 48' ' ' TYR . . . -100.03 142.02 32.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.61 -72.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.98 -35.5 32.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.469 1.105 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 2.5 t80 -78.98 129.65 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 p -72.23 -26.05 61.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.2 OUTLIER 64.9 -170.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.3 p -98.78 149.3 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.46 14.76 12.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -108.15 -40.81 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -79.08 -51.28 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.542 HD11 ' CB ' ' A' ' 48' ' ' TYR . 70.6 mt -52.98 -39.99 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.242 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -86.56 46.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -137.76 -46.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.599 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 76.8 32.39 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.674 HG12 ' HB3' ' A' ' 40' ' ' SER . 3.4 p -71.22 91.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.568 HD12 ' CG ' ' A' ' 39' ' ' HIS . 4.9 tp -67.38 96.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 22.3 m95 -59.1 145.19 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 1.3 t0 -145.98 -61.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HG2' HG23 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -178.73 -77.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -61.04 -37.7 83.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' MET . 11.6 t-20 -53.29 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.561 ' SD ' HD11 ' A' ' 68' ' ' LEU . 2.3 ttm -36.67 -50.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.798 ' OG ' HD11 ' A' ' 95' ' ' ILE . 14.4 t -42.07 -50.19 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 69' ' ' THR . 15.7 tt0 -57.57 -41.12 80.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.599 ' CD1' HD12 ' A' ' 75' ' ' ILE . 3.3 t80 -75.34 -26.85 58.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.561 HD11 ' SD ' ' A' ' 64' ' ' MET . 94.5 mt -65.45 -46.69 78.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 66' ' ' GLU . 3.4 t -68.08 -43.14 79.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -129.43 71.29 82.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CD2' HG13 ' A' ' 75' ' ' ILE . 87.7 t80 -37.49 -52.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 67' ' ' TYR . 9.6 mt -111.28 107.41 57.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 85.07 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 130.9 42.14 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.1 t -98.87 113.54 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -62.02 -14.4 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.4 ttt -59.98 94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.11 64.46 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -105.43 144.74 31.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.31 104.01 1.99 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 69' ' ' THR . . . -42.72 113.07 0.56 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.58 -171.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -162.72 -51.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -54.23 90.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -44.32 -27.15 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -69.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.538 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.3 m-20 -57.86 -49.27 77.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.734 ' O ' HD12 ' A' ' 95' ' ' ILE . 61.5 mtp180 -44.19 -41.29 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' -2' ' ' LYS . 78.4 m-20 -72.99 -63.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.449 ' OD2' ' NZ ' ' A' ' 5' ' ' LYS . 68.8 m-20 -42.1 -48.55 4.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.068 HD13 HD22 ' A' ' 9' ' ' LEU . 9.5 tp -56.71 -69.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.798 HD11 ' OG ' ' A' ' 65' ' ' SER . 18.4 mt -39.71 -50.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.459 ' CB ' ' HA3' ' A' ' 1' ' ' GLY . 0.7 OUTLIER -45.2 -49.84 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 10.8 t80 -76.95 -47.64 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -54.39 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 103' ' ' GLU . 7.5 tmtt? -47.53 -43.99 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -71.35 -50.1 35.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.839 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -52.73 -54.33 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 t -73.5 -26.75 61.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' LYS . 18.7 pt-20 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.502 0.191 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 131.0 35.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.39 155.09 24.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -109.39 -26.14 5.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 86.09 -72.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 110.008 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . -179.98 -169.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.29 50.28 16.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -176.06 -39.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.82 -34.17 7.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.75 -61.61 2.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -23.03 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.964 HD22 HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -70.55 -79.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 67.5 t80 -38.76 -44.54 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -39.6 -35.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.6 p -128.71 150.47 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 75.54 9.07 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.66 -65.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.491 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.8 mp -43.8 -38.19 3.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -45.99 -25.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.467 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 84.1 m -120.01 -60.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 126.829 3.204 . . . . 0.0 108.305 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.508 ' CD2' HD11 ' A' ' 32' ' ' LEU . 97.7 m-70 -100.2 153.06 19.57 Favored 'General case' 0 C--N 1.381 1.937 0 O-C-N 118.121 -2.862 . . . . 0.0 115.129 -163.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.448 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 19.0 p -123.72 93.56 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 111.116 -2.766 . . . . 0.0 110.357 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.682 HG23 ' HB1' ' A' ' 101' ' ' ALA . 7.7 p -53.77 -35.82 28.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -39.14 159.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 7.4 ttmm -65.84 -76.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.63 55.06 2.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.53 121.74 6.35 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 108.07 2.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 35.2 m-70 -39.24 132.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -116.69 -101.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 53.7 t -78.4 -26.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.67 -178.79 18.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 166.86 28.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -68.24 156.0 38.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD11 ' CD2' ' A' ' 18' ' ' HIS . 59.9 mt -127.64 48.67 2.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 102' ' ' SER . 0.9 OUTLIER -60.67 -126.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.582 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.471 ' CA ' ' HB3' ' A' ' 102' ' ' SER . . . -82.45 56.48 5.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -59.08 -158.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.626 ' CE1' ' HE2' ' A' ' 64' ' ' MET . 25.6 m-85 56.98 116.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.1 22.72 5.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 16.4 mmt85 -148.39 -174.92 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' NE2' HD13 ' A' ' 58' ' ' LEU . 2.4 m170 -102.16 152.12 21.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.584 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.651 ' HB3' HG12 ' A' ' 57' ' ' VAL . 4.6 p -38.77 117.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.576 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 106.78 94.25 2.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 65.0 mt-30 -114.77 33.09 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.582 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -150.55 126.49 10.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.06 -55.76 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.64 -41.26 34.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 20.4 t80 -83.52 122.81 29.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 0.794 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.8 p -63.94 141.24 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.582 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 2.1 m-85 -116.32 -176.02 2.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -98.74 176.52 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.53 21.73 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.53 -55.41 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' LYS . 51.9 t30 -60.69 -68.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -40.47 -38.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -86.99 46.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -133.63 -46.75 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.4 23.93 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.651 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.6 p -63.85 91.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.468 HD13 ' NE2' ' A' ' 39' ' ' HIS . 4.2 tp -67.49 93.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 41.5 m95 -54.03 115.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 107.957 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.28 -64.21 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.525 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 25.0 tt0 -178.44 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 65' ' ' SER . 1.3 m-80 -98.27 -60.36 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 64' ' ' MET . 6.7 p-10 -39.78 -33.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.626 ' HE2' ' CE1' ' A' ' 36' ' ' PHE . 4.0 tpp -73.72 -49.36 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.727 ' HB2' HD11 ' A' ' 95' ' ' ILE . 60.2 p -55.17 -42.8 73.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 69' ' ' THR . 0.0 OUTLIER -59.98 -31.8 70.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.658 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 2.6 t80 -81.67 -48.96 11.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' TYR . 73.6 mt -40.51 -42.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 66' ' ' GLU . 6.1 t -74.98 -40.4 60.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' TYR . 12.0 t-20 -128.14 72.68 79.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.658 ' HA ' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -42.07 -53.4 3.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.484 HD12 ' CE2' ' A' ' 67' ' ' TYR . 67.9 mt -109.83 100.36 42.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 107.36 2.47 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 35.88 2.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.43 1.081 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.457 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.2 t -95.62 115.43 27.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -18.93 16.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.9 ttt -57.3 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.93 71.78 10.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 4.2 t80 -109.54 -55.65 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' THR . . . 103.14 -54.31 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 111.97 152.66 11.98 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.3 mt -71.14 -108.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 4.5 mtmt 164.79 -48.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -75.03 100.18 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 91' ' ' ARG . 2.7 mt-10 -53.89 -28.33 35.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -47.15 -61.06 2.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' HB3' HD11 ' A' ' 9' ' ' LEU . 4.6 m-20 -61.32 -40.84 95.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 88' ' ' GLU . 8.8 mtm180 -56.52 -41.21 76.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.48 -44.74 89.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 96' ' ' THR . 52.0 m-20 -61.71 -52.05 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.964 HD12 HD22 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -60.41 -57.57 12.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.727 HD11 ' HB2' ' A' ' 65' ' ' SER . 42.1 mt -39.63 -37.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -61.73 -50.25 73.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 110.388 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 94' ' ' LEU . 20.3 t80 -77.59 -36.69 51.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.656 HD23 HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -65.94 -31.7 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.486 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 21.8 tttm -34.41 -37.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.644 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -126.0 -60.53 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.682 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . 80.61 -14.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 16.6 p -85.57 -43.65 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 110.03 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 1.015 ' CE2' ' HB2' ' A' ' -1' ' ' ALA . 1.3 t80 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.486 0.184 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -2' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' -1' ' ' ALA . 2.8 mmtt -90.55 34.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' -1' ' ' ALA . . . . . 1.015 ' HB2' ' CE2' ' A' ' -3' ' ' PHE . . . -37.12 154.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . 96.84 124.17 4.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER 157.69 93.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 0.0 110.062 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.35 63.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 2' ' ' SER . 24.3 tttt -103.93 -136.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 56.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.15 -46.84 2.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 97' ' ' TYR . . . -63.46 -61.08 2.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -21.4 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.655 HD13 HD23 ' A' ' 94' ' ' LEU . 2.6 tt -65.16 -77.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CD2' HD13 ' A' ' 15' ' ' LEU . 17.1 t80 -45.57 -34.02 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.63 -43.59 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.606 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -125.28 128.19 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.606 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.1 OUTLIER 92.92 16.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 10' ' ' PHE . 63.2 m -155.82 -71.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' A' ' 10' ' ' PHE . 1.4 tp -45.19 -39.08 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -41.88 -27.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.495 ' SG ' HG11 ' A' ' 28' ' ' VAL . 73.0 m -110.54 -58.61 2.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 126.83 3.205 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -102.9 160.76 14.32 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 118.165 -2.834 . . . . 0.0 115.077 -163.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 p -123.33 115.13 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 111.071 -2.786 . . . . 0.0 110.423 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.819 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.7 p -65.52 -32.35 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.76 -179.79 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 7.0 tttt -101.08 -51.82 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.91 60.42 3.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.23 127.88 5.44 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.3 9.22 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.518 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 33.2 m-70 -45.37 133.98 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -114.15 -102.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.495 HG11 ' SG ' ' A' ' 17' ' ' CYS . 55.6 t -81.07 -24.67 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.14 178.7 20.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 165.39 31.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -81.19 119.62 23.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' HB3' HD12 ' A' ' 35' ' ' ILE . 80.0 mt -69.51 -66.27 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.52 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.9 OUTLIER 73.09 -129.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.559 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' A' ' 33' ' ' HIS . . . -98.55 61.62 0.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.494 HG13 ' HE1' ' A' ' 64' ' ' MET . 0.1 OUTLIER -62.55 -139.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 61' ' ' GLU . 20.3 m-85 49.59 100.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 120.45 -26.23 7.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.432 1.082 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 9.2 mmt180 -93.37 170.82 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.514 ' CE1' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -94.31 151.47 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.634 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' HIS . 93.1 p -37.55 134.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 82.93 95.86 0.55 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 77.2 mt-30 -119.44 29.25 7.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.417 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -130.11 127.92 40.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -110.33 100.98 9.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 136.9 -51.69 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.518 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 11.3 t80 -65.23 124.19 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.47 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 11.8 p -55.71 130.66 44.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.532 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -109.27 -179.28 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -100.87 167.68 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.19 22.52 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -112.84 -56.06 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 53' ' ' ILE . 4.9 t-20 -60.75 -77.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 48' ' ' TYR . 14.4 mt -39.46 -33.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -85.57 45.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -145.92 -47.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 54.85 89.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.714 HG11 ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -128.87 102.43 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.6 tp -63.1 78.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.602 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 60.1 m95 -32.29 133.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.19 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.48 ' O ' HG21 ' A' ' 95' ' ' ILE . 29.0 tt0 175.65 -34.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -96.04 -59.11 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.594 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 25.8 p-10 -45.76 -47.78 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.602 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 16.8 tpp -45.03 -35.76 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.513 ' CB ' HD11 ' A' ' 95' ' ' ILE . 14.5 p -68.95 -49.79 54.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.587 ' O ' HG22 ' A' ' 69' ' ' THR . 2.0 tt0 -36.95 -43.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.714 ' OH ' HG11 ' A' ' 57' ' ' VAL . 8.7 m-85 -79.41 -52.04 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.5 mt -42.15 -29.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 66' ' ' GLU . 7.6 t -91.42 -37.87 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' TYR . 9.1 t-20 -131.84 67.52 79.63 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -62.73 -42.95 99.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.433 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 54.5 mt -99.95 108.78 53.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.1 Cg_endo -75.02 108.56 2.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.793 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.9 55.77 3.48 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 78' ' ' THR . 14.2 t -94.5 107.56 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -40.14 -30.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.452 ' N ' ' C ' ' A' ' 78' ' ' THR . 19.0 ttt -60.05 88.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.86 67.1 8.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 22.1 t80 -97.08 143.49 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -47.95 -78.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 136.7 108.45 0.9 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.61 ' CD1' HD21 ' A' ' 9' ' ' LEU . 6.5 mt -86.2 130.94 34.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 50.73 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' LYS . 26.9 mmtt -132.63 85.54 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -38.79 -29.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -54.2 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' ASP . 5.4 m-20 -63.15 -53.07 59.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.477 ' O ' HD12 ' A' ' 95' ' ' ILE . 56.6 mtp180 -41.0 -44.02 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.13 -45.12 94.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 96' ' ' THR . 1.0 OUTLIER -68.01 -53.54 25.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.78 ' CD1' HD12 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -40.51 -73.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.513 HD11 ' CB ' ' A' ' 65' ' ' SER . 11.2 mt -39.38 -31.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -78.23 -50.11 12.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.415 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 7' ' ' ALA . 90.9 t80 -63.53 -40.5 97.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.78 HD12 ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -63.97 -50.62 67.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -32.88 3.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 103' ' ' GLU . 12.0 tptp -82.91 -61.72 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.819 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -45.66 -57.13 4.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 33' ' ' HIS . 1.2 m -49.2 -26.7 3.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 100' ' ' LYS . 16.5 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.59 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 2.3 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.541 0.21 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 124.46 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.15 155.75 27.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -113.46 -130.32 5.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -172.44 -75.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.97 35.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -146.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 58.09 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.94 -51.49 1.77 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.436 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -52.28 -62.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.5 -21.47 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.1 HD22 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -70.75 -76.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.674 ' CD2' ' CD1' ' A' ' 15' ' ' LEU . 35.3 t80 -47.49 -22.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -75.45 -38.24 59.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -118.54 125.07 49.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 110.36 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER 84.76 22.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.5 m -157.77 -71.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.674 ' CD1' ' CD2' ' A' ' 10' ' ' PHE . 1.3 mp -45.57 -36.56 4.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -46.9 -24.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.468 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 75.7 m -112.07 -58.24 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 126.865 3.222 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -105.43 158.29 16.75 Favored 'General case' 0 C--N 1.382 1.981 0 O-C-N 118.121 -2.862 . . . . 0.0 115.081 -163.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.548 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 12.1 p -131.27 124.19 29.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 111.074 -2.785 . . . . 0.0 110.38 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.0 -39.87 58.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -45.2 168.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 33' ' ' HIS . 1.9 ttmt -86.97 -57.08 3.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.1 59.76 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.81 124.18 5.94 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.8 19.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.59 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 31.6 m-70 -57.42 139.31 53.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.534 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -129.98 -94.69 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 99.6 t -95.6 -30.91 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.67 157.11 22.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -75.04 133.57 16.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.548 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 0.8 OUTLIER -47.28 121.11 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' HB3' HG21 ' A' ' 35' ' ' ILE . 13.9 mt -79.53 -66.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.418 ' NE2' ' HE3' ' A' ' 22' ' ' LYS . 1.3 t-80 74.74 -136.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -87.73 59.31 4.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.32 -146.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CD2' HG12 ' A' ' 35' ' ' ILE . 51.2 m-85 56.98 114.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.041 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.63 -32.74 5.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 58' ' ' LEU . 9.3 mmt180 -90.5 170.75 9.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.458 ' CE1' HD13 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.94 152.59 18.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.413 ' HB3' HG23 ' A' ' 57' ' ' VAL . 95.6 p -38.15 137.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.554 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 82.88 91.67 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -116.37 27.32 9.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.16 130.55 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -96.19 -42.61 8.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.65 -46.78 24.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.59 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -71.93 130.46 41.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 0.788 . . . . 0.0 111.027 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -75.29 113.57 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 4.6 m-85 -91.28 176.13 6.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.5 p -107.46 -170.0 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.03 22.91 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.38 -51.24 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 53' ' ' ILE . 6.0 t-20 -63.65 -79.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.431 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 29.9 mt -39.57 -33.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 52' ' ' ASN . 12.3 mmtp -86.03 46.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -140.35 -51.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 55.47 84.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.489 HG11 ' OH ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -128.63 102.76 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.508 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.6 tp -62.56 79.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 58.9 m95 -34.31 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -141.88 -68.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE2' ' CD2' ' A' ' -3' ' ' PHE . 0.5 OUTLIER -177.09 -57.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.17 -46.33 20.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -44.64 -55.96 4.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.579 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 16.8 tpp -51.91 -49.44 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.744 ' HB2' HD11 ' A' ' 95' ' ' ILE . 9.7 p -43.89 -43.13 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.63 -52.95 62.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 1.175 ' CE1' HD12 ' A' ' 75' ' ' ILE . 7.0 t80 -53.16 -55.73 21.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.3 mt -52.38 -37.72 57.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -50.37 74.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -141.11 76.85 21.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.489 ' OH ' HG11 ' A' ' 57' ' ' VAL . 17.5 t80 -37.58 -50.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 1.175 HD12 ' CE1' ' A' ' 67' ' ' TYR . 62.5 mt -114.75 91.85 27.36 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.72 2.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.0 42.44 1.53 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.533 ' HB ' HG22 ' A' ' 75' ' ' ILE . 7.4 t -110.71 114.97 28.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -48.57 -24.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 78' ' ' THR . 20.8 ttt -58.07 89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.7 65.92 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -87.44 -58.45 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 126.66 -70.28 0.5 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.98 125.07 4.51 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.14 173.78 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -143.54 45.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.9 mmmp? -132.84 92.05 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.436 ' N ' ' HE ' ' A' ' 91' ' ' ARG . 5.8 mt-10 -38.04 -34.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -50.21 -69.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.405 ' CG ' HD11 ' A' ' 9' ' ' LEU . 4.9 m-20 -65.43 -56.3 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.779 ' O ' HD12 ' A' ' 95' ' ' ILE . 55.8 mtm180 -38.83 -47.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -68.55 -54.13 18.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -48.96 -49.79 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.1 HD13 HD22 ' A' ' 9' ' ' LEU . 6.6 tp -46.57 -71.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 91' ' ' ARG . 4.0 mt -39.59 -44.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.86 -51.1 70.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 56.1 t80 -70.03 -46.06 65.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -47.96 -50.65 26.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -63.76 -26.56 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' TYR . 6.8 ttpp -77.11 -63.06 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.89 82.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 50.0 m -66.26 -28.74 68.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.589 ' CG ' ' N ' ' A' ' -2' ' ' LYS . 9.6 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.52 0.2 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -2' ' ' LYS . . . . . 0.589 ' N ' ' CG ' ' A' ' -3' ' ' PHE . 31.3 ttmt -161.4 136.91 7.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -40.12 154.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -128.62 -142.27 5.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 91.39 6.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.56 44.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.15 6.72 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -161.18 -103.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.571 ' O ' ' CD2' ' A' ' 97' ' ' TYR . . . 113.15 30.15 2.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -159.73 -46.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.42 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.011 HD22 HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -89.0 -73.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.447 ' C ' ' N ' ' A' ' 12' ' ' THR . 55.5 t80 -38.87 -43.64 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -39.48 -30.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 10' ' ' PHE . 67.7 p -133.78 154.32 51.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 75.51 9.15 3.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.1 -62.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 108.326 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.91 -39.04 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -45.55 -25.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.465 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 81.4 m -118.08 -61.38 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 126.881 3.229 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -101.16 159.81 14.93 Favored 'General case' 0 C--N 1.381 1.964 0 O-C-N 118.129 -2.857 . . . . 0.0 115.103 -163.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 p -128.99 112.78 14.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 111.093 -2.776 . . . . 0.0 110.413 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.003 HG21 ' HB1' ' A' ' 101' ' ' ALA . 8.3 p -64.93 -22.2 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.7 OUTLIER -52.56 176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -98.18 -59.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 60.58 1.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.16 123.68 7.53 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.02 -9.02 20.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.437 1.756 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 12.5 m80 85.21 134.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -114.62 -100.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 71.8 t -85.32 -24.04 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.09 171.6 23.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.41 33.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.5 m120 -80.52 118.85 22.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' GLY . 25.7 mt -61.19 -39.51 90.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 102' ' ' SER . 6.8 t60 -39.21 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.557 ' O ' ' NE2' ' A' ' 42' ' ' GLN . . . 135.92 -27.36 3.05 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 36' ' ' PHE . 2.8 pp -60.08 -165.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 35' ' ' ILE . 4.1 m-30 57.25 81.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 150.47 -73.87 0.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -69.35 -162.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 2.5 m-70 -107.28 172.57 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.601 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.436 ' HB3' HG23 ' A' ' 57' ' ' VAL . 63.1 p -40.53 137.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 81.64 90.66 0.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.557 ' NE2' ' O ' ' A' ' 34' ' ' GLY . 3.0 mt-30 -121.37 28.13 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -113.84 139.14 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.13 45.81 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.28 41.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 11.4 t80 -165.83 127.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.556 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 85.3 p -61.44 135.6 57.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 1.1 m-85 -110.27 177.58 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -85.83 172.12 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.28 18.66 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.19 -43.33 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 12.1 t-20 -63.18 -78.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' ASN . 27.7 mt -38.82 -32.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 52' ' ' ASN . 59.2 mmtt -86.52 44.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' ASN . 14.5 tppt? -138.27 -56.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 73.69 83.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.492 ' CG1' ' OH ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -124.23 104.74 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.61 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 1.4 tp -61.65 80.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.492 ' C ' ' O ' ' A' ' 58' ' ' LEU . 56.6 m95 -35.64 111.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -117.84 -77.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 25.9 tt0 -175.51 -38.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.709 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -87.62 -48.06 8.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.447 ' CG ' ' N ' ' A' ' 64' ' ' MET . 7.5 p-10 -51.98 -42.86 63.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 30.2 ttm -52.87 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 23.2 t -41.82 -38.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.18 -44.69 83.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.828 ' CE1' HD12 ' A' ' 75' ' ' ILE . 7.6 t80 -79.27 -31.27 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 64' ' ' MET . 64.2 mt -64.04 -50.13 69.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.48 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 10.2 t -66.85 -45.54 77.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -126.11 73.56 71.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.503 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.489 1.783 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tptp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.492 ' OH ' ' CG1' ' A' ' 57' ' ' VAL . 1.6 t80 -38.68 -48.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.828 HD12 ' CE1' ' A' ' 67' ' ' TYR . 96.3 mt -113.83 107.05 53.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.33 2.46 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.39 31.45 6.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.7 t -77.21 110.7 12.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -47.73 -28.22 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.7 ttt -60.63 87.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.16 74.25 9.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.369 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 6.4 t80 -105.64 136.64 44.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -51.56 -58.21 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.546 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 129.9 127.15 2.89 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 91' ' ' ARG . 45.9 mt -60.84 -65.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 85.7 -65.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.2 mmpt? -59.0 95.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.1 pt-20 -34.01 -59.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 3.0 mtmt -40.45 -60.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.366 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.771 ' CG ' HD11 ' A' ' 9' ' ' LEU . 1.6 m-20 -48.06 -39.28 19.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.52 ' HA ' HD13 ' A' ' 85' ' ' LEU . 13.3 mtm180 -70.75 -39.23 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.36 -61.06 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.0 -49.49 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.011 HD23 HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -55.25 -66.91 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 61' ' ' GLU . 35.2 mt -49.05 -57.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -37.94 -54.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.382 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 44.8 t80 -72.87 -44.42 61.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.925 HD12 ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -49.8 -44.18 48.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -53.85 -20.05 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -111.94 -20.63 11.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.003 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -65.08 -59.18 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.934 ' OG ' HG22 ' A' ' 20' ' ' VAL . 1.2 m -168.46 49.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' SER . 7.3 pt-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.449 ' CG ' ' OE2' ' A' ' 61' ' ' GLU . 20.9 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.481 0.181 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.91 19.87 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 58.44 159.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -124.76 -40.36 0.42 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.21 146.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.996 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.84 62.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -130.11 10.14 5.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 6.4 tttt -177.13 41.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.11 -58.13 0.36 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.29 -67.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.05 -30.41 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.956 HD22 ' HG ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -68.3 -75.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 68.0 t80 -43.63 -24.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.597 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -73.1 -45.37 57.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -112.59 127.4 56.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.362 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 82.79 23.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 65.1 m -159.23 -68.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 108.249 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.6 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 tp -44.95 -35.03 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -46.08 -25.62 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.562 ' SG ' HG11 ' A' ' 28' ' ' VAL . 99.6 m -114.87 -59.46 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 126.883 3.23 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -103.03 158.09 16.53 Favored 'General case' 0 C--N 1.382 1.98 0 O-C-N 118.138 -2.851 . . . . 0.0 115.09 -163.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.797 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -124.45 127.6 47.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 111.104 -2.771 . . . . 0.0 110.412 -179.386 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.797 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.1 p -81.8 -28.92 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -48.15 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.4 ttmm -96.93 -64.76 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.89 57.61 3.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.63 134.02 10.36 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.19 13.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.467 1.772 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 32.2 m-70 -90.52 147.22 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.639 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -135.6 -93.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.562 HG11 ' SG ' ' A' ' 17' ' ' CYS . 65.1 t -98.35 -28.9 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.2 153.23 21.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 141.46 26.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.797 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.9 OUTLIER -49.71 137.01 16.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -103.0 19.73 18.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 16.1 t60 -82.89 61.0 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.64 48.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.6 pp -117.32 -162.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.696 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.3 m-85 58.11 110.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.87 2.0 55.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.48 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 5.8 mmt85 -118.93 -170.52 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.726 ' CE1' HD13 ' A' ' 58' ' ' LEU . 1.8 m-70 -116.39 148.67 40.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.548 ' HB3' HG12 ' A' ' 57' ' ' VAL . 95.2 p -34.58 129.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.954 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.568 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 92.07 98.56 1.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.48 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 74.8 mt-30 -139.2 26.16 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.528 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -113.39 131.79 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.8 70.97 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.69 -37.09 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.584 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.1 t80 -69.97 129.79 40.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.7 p -75.05 119.95 19.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.568 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 4.9 m-85 -100.41 179.06 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.0 p -113.59 178.99 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.498 ' OD1' ' CE ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -92.43 24.15 3.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.73 ' HB1' ' CG2' ' A' ' 75' ' ' ILE . . . -106.44 -64.45 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 55' ' ' LYS . 54.1 t30 -62.41 -67.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 48' ' ' TYR . 15.3 mt -42.73 -39.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.498 ' CE ' ' OD1' ' A' ' 50' ' ' ASP . 34.1 mmtt -87.76 45.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -139.82 -55.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.499 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.7 OUTLIER 76.83 35.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 57' ' ' VAL . 8.7 p -68.33 95.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.726 HD13 ' CE1' ' A' ' 39' ' ' HIS . 3.8 tp -64.57 99.43 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CH2' HG11 ' A' ' 57' ' ' VAL . 40.9 m95 -61.19 130.11 44.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 108.032 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.599 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 12.0 t70 -144.36 -65.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.874 ' HG3' HG21 ' A' ' 95' ' ' ILE . 28.7 tt0 -171.31 -75.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -65.22 -43.99 89.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.522 HD21 HG22 ' A' ' 57' ' ' VAL . 16.7 t30 -57.09 -55.02 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.588 ' HE2' ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -56.01 -52.65 63.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.752 ' HB3' HD11 ' A' ' 95' ' ' ILE . 79.2 p -54.71 -43.62 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -52.82 -32.16 42.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.68 ' CE1' HD12 ' A' ' 75' ' ' ILE . 8.4 t80 -87.34 -51.27 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -41.85 -44.21 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 70' ' ' ASN . 5.0 t -66.73 -49.41 66.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 69' ' ' THR . 12.8 t-20 -126.32 74.47 73.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.557 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -40.75 -55.15 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.73 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 64.7 mt -109.67 100.33 41.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.88 3.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.9 44.12 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 78' ' ' THR . 11.1 t -106.69 110.45 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 0.771 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -29.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.445 ' N ' ' C ' ' A' ' 78' ' ' THR . 21.9 ttt -57.58 90.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.76 83.32 4.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 11.6 t80 -115.38 138.12 51.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.68 -64.04 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 119.64 111.38 2.36 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.74 104.06 10.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -92.04 37.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -132.86 85.04 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -39.03 -36.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.45 -43.4 83.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 95' ' ' ILE . 6.4 mtt180 -53.54 -41.02 65.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -63.11 -52.5 62.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -48.53 -56.99 6.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.956 ' HG ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -52.1 -68.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.874 HG21 ' HG3' ' A' ' 61' ' ' GLU . 18.5 mt -39.64 -54.55 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -40.3 -51.1 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 101' ' ' ALA . 19.5 t80 -79.7 -48.36 13.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.646 HD23 HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -42.98 -53.87 4.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' GLU . 19.9 tptp -40.35 -47.4 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLU . 9.2 ttmm -79.11 -50.63 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.797 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -40.25 -48.94 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m -82.95 -28.91 29.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 7.9 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -3' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' -2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.508 0.194 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' -2' ' ' LYS . . . . . 0.466 ' O ' ' CE2' ' A' ' -3' ' ' PHE . 2.9 ttmt -84.16 140.96 31.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -115.94 154.25 30.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.429 ' HA2' HG21 ' A' ' 96' ' ' THR . . . 66.99 131.33 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.443 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 11.3 t 170.39 41.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.82 175.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.01 40.64 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 2' ' ' SER . 1.3 ptpm? 173.21 -33.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.08 -24.55 40.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.8 -60.87 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.38 -23.36 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.914 HD11 HD22 ' A' ' 85' ' ' LEU . 5.4 tt -63.65 -76.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 61.6 t80 -46.53 -33.08 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.04 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -116.14 60.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 19.1 mmt180 -145.78 -46.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -39.91 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.548 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 3.0 tp -42.66 -38.14 1.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -44.56 -29.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 m -109.35 -56.8 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 126.839 3.209 . . . . 0.0 108.279 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 30' ' ' PRO . 95.9 m-70 -103.26 157.72 16.81 Favored 'General case' 0 C--N 1.381 1.967 0 O-C-N 118.176 -2.828 . . . . 0.0 115.069 -163.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.454 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.8 p -128.88 108.57 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.123 -2.762 . . . . 0.0 110.407 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.478 HG21 ' HB1' ' A' ' 101' ' ' ALA . 12.5 p -56.36 -32.84 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 4.0 mt-10 -70.09 161.45 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.544 ' CE ' ' ND1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -90.54 -161.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.84 31.79 5.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.54 129.7 8.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.16 13.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.794 ' NE2' ' HB1' ' A' ' 43' ' ' ALA . 26.4 m80 -51.1 111.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -93.98 -106.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.0 t -78.22 -32.88 17.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.41 168.2 25.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.661 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 18.2 Cg_endo -75.01 156.55 42.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' THR . 4.9 t-20 -71.59 152.97 42.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.536 ' HB3' HD12 ' A' ' 35' ' ' ILE . 13.7 mt -115.76 40.1 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.544 ' ND1' ' CE ' ' A' ' 22' ' ' LYS . 6.1 t-80 -62.62 104.13 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 102' ' ' SER . . . 48.25 95.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -114.76 -149.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.675 ' CZ ' ' CE ' ' A' ' 64' ' ' MET . 55.0 m-85 56.47 114.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.99 1.86 48.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 3.8 mmt85 -116.63 -169.85 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.791 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.561 ' NE2' HD13 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -108.34 148.17 30.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.607 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.613 ' HB3' HG12 ' A' ' 57' ' ' VAL . 4.0 p -41.66 117.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.44 96.08 2.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.491 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 63.2 mt-30 -137.16 9.82 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.794 ' HB1' ' NE2' ' A' ' 26' ' ' HIS . . . -72.96 -8.11 54.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ALA . 3.4 tm-20 35.24 86.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.34 -46.5 0.63 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.497 ' CD1' ' CB ' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -87.84 133.37 33.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 0.0 110.97 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' TYR . 41.4 t -82.05 7.78 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' HB2' HD12 ' A' ' 53' ' ' ILE . 4.6 m-85 43.41 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.4 p -97.92 -174.46 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.99 26.3 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -116.52 -55.08 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 55' ' ' LYS . 9.2 t-20 -64.75 -82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.58 HD12 ' HB2' ' A' ' 48' ' ' TYR . 24.0 mt -38.1 -35.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' ASN . 11.4 mmtt -86.84 46.47 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -147.49 -52.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER 78.46 32.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.613 HG12 ' HB3' ' A' ' 40' ' ' SER . 3.2 p -60.48 83.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD13 ' NE2' ' A' ' 39' ' ' HIS . 6.0 tp -63.78 92.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 27.8 m95 -53.99 152.72 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -157.05 -63.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -167.12 -68.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -79.91 -41.26 26.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -44.75 -53.13 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.675 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 3.4 ttm -61.68 -38.8 89.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.58 ' OG ' HD11 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -55.58 -55.45 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -51.8 -31.22 26.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.467 ' CE2' HD23 ' A' ' 68' ' ' LEU . 6.7 t80 -82.72 -58.29 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.597 HD11 ' SD ' ' A' ' 64' ' ' MET . 59.3 mt -40.31 -44.98 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 66' ' ' GLU . 9.3 t -68.55 -44.6 74.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' TYR . 12.9 t-20 -127.64 73.62 78.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.206 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -41.96 -53.44 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mm -98.82 109.62 54.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.98 103.05 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.86 54.2 2.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 78' ' ' THR . 5.2 t -101.57 111.09 23.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.59 -23.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.8 ttt -59.55 92.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.11 82.39 5.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -114.45 128.94 56.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.64 -60.48 4.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.42 134.38 4.03 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.914 HD22 HD11 ' A' ' 9' ' ' LEU . 21.8 mt -63.42 -64.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 83.5 -51.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLU . 8.1 mmtm -71.05 84.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -38.18 -36.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -69.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.466 ' HB3' HD12 ' A' ' 9' ' ' LEU . 2.4 m-20 -53.05 -50.26 64.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.572 ' O ' HD12 ' A' ' 95' ' ' ILE . 12.7 mtm105 -48.43 -42.24 31.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.416 ' HA ' ' CE2' ' A' ' -3' ' ' PHE . 40.5 m-20 -58.79 -27.69 65.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -85.21 -48.57 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.804 HD23 HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.98 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.58 HD11 ' OG ' ' A' ' 65' ' ' SER . 3.5 mt -41.33 -29.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -77.78 -47.65 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' LEU . 13.5 t80 -72.46 -47.6 47.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.572 HD12 HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -58.49 -53.48 57.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 3.6 tttt -51.05 -39.54 56.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -73.49 -61.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.478 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -46.89 -59.39 3.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.488 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 45.9 p -46.48 -25.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' THR . . . . . 0.588 ' H1 ' ' CD ' ' A' ' 61' ' ' GLU . 24.1 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLU . . . . . 0.518 ' HB3' ' ND2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -114.49 -32.85 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 110.298 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.597 ' CZ ' ' OE2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -51.56 -174.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' -2' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER -89.26 15.7 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.592 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . 54.51 170.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -120.39 -131.91 4.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' ALA . 3.1 t 175.23 61.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.14 38.12 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . 5.5 tttm -62.0 -141.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -86.27 62.19 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.76 -45.66 3.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.15 -58.04 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -14.74 16.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.929 HD22 ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -75.41 -77.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.508 ' CD1' HD13 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -35.74 -48.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' PHE . 5.1 tttm -37.53 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.6 p -95.68 52.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.777 ' O ' HMC3 ' A' ' 104' ' ' HEC . 28.8 mmt180 -150.12 -45.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -124.27 -43.27 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 10' ' ' PHE . 3.9 tp -45.57 -37.44 5.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -50.12 -22.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.6 m -118.04 -48.65 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 126.852 3.215 . . . . 0.0 108.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -112.31 176.2 5.12 Favored 'General case' 0 C--N 1.381 1.948 0 O-C-N 118.15 -2.844 . . . . 0.0 115.088 -163.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 73.1 p -147.95 108.2 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.391 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.31 -31.0 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.2 pt-20 -52.69 175.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD2' ' NE2' ' A' ' 33' ' ' HIS . 1.9 tttm -92.05 -53.67 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -47.69 -23.0 2.06 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -36.61 105.58 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -74.99 -7.16 18.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 13.0 m80 87.31 136.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -123.44 -96.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.8 t -86.48 -23.75 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.92 168.74 24.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.512 ' CG ' ' O1A' ' A' ' 104' ' ' HEC . 18.3 Cg_endo -74.98 166.32 29.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -76.48 141.77 41.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.848 HD11 ' CHB' ' A' ' 104' ' ' HEC . 39.6 mt -94.88 -61.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.414 ' NE2' ' HD2' ' A' ' 22' ' ' LYS . 1.3 t-80 66.81 -147.05 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -79.4 60.05 4.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.0 -144.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.42 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 26.2 m-85 53.89 106.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 120.53 -29.48 5.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.596 ' O ' HD12 ' A' ' 58' ' ' LEU . 7.3 mmt85 -89.26 171.53 9.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.887 ' CE1' HD13 ' A' ' 58' ' ' LEU . 91.1 m-70 -95.63 112.87 24.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.474 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 60.4 p 36.16 -153.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.948 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -35.06 151.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 29.7 mt-30 -141.5 27.95 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.802 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -125.98 126.47 44.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.33 -44.19 5.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.69 56.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 8.9 t80 -88.17 134.82 33.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.453 ' O ' ' CE1' ' A' ' 46' ' ' TYR . 84.2 p -69.31 120.38 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.802 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 1.6 m-85 -98.21 -166.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.713 HG23 ' O2D' ' A' ' 104' ' ' HEC . 79.4 p -100.15 159.64 14.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.02 22.16 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.06 -54.1 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -69.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.468 HD12 ' CB ' ' A' ' 48' ' ' TYR . 20.4 mt -44.23 -34.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -85.26 46.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -141.2 -47.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.44 28.63 13.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.803 HG11 ' CH2' ' A' ' 59' ' ' TRP . 8.0 p -63.4 93.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.887 HD13 ' CE1' ' A' ' 39' ' ' HIS . 9.8 tp -54.04 109.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.803 ' CH2' HG11 ' A' ' 57' ' ' VAL . 49.3 m95 -70.92 157.45 38.15 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -167.14 -64.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.597 ' OE2' ' CZ ' ' A' ' -3' ' ' PHE . 1.3 tt0 -166.77 -77.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.518 ' ND2' ' HB3' ' A' ' -4' ' ' GLU . 31.0 m120 -57.82 -56.03 27.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.722 HD21 HG22 ' A' ' 57' ' ' VAL . 7.7 t30 -41.52 -67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.431 ' HA ' ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -38.29 -56.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.583 ' CB ' HD11 ' A' ' 95' ' ' ILE . 1.2 t -56.26 -38.96 71.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -53.64 -28.59 33.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 20.8 t80 -93.87 -42.84 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.6 mt -48.28 -42.16 29.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.567 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.5 OUTLIER -64.59 -60.63 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.567 ' N ' HG22 ' A' ' 69' ' ' THR . 3.9 m-20 -124.13 75.52 59.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.591 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.01 -29.68 7.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.585 HM13 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.479 0.98 0 O-C-N 127.684 3.115 . . . . 0.0 116.584 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -66.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.068 -1.424 . . . . 0.0 109.277 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -44.95 -53.94 7.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.506 HG13 ' CE1' ' A' ' 67' ' ' TYR . 28.1 mm -87.19 113.61 54.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.47 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.77 55.12 0.75 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' THR . 0.8 OUTLIER -96.89 113.33 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 110.363 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.439 ' O ' HMD2 ' A' ' 104' ' ' HEC . 6.1 mttm -65.97 -11.24 46.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.51 ' HA ' ' C2D' ' A' ' 104' ' ' HEC . 15.9 ttt -63.42 95.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.854 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -81.72 71.62 8.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' HD1' HMC2 ' A' ' 104' ' ' HEC . 16.1 t80 -102.0 -51.29 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 102.42 -59.04 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.434 ' CA ' ' O ' ' A' ' 69' ' ' THR . . . 134.28 136.94 3.72 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.6 mt -73.61 -35.95 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 1.5 pttm 51.42 22.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -133.34 75.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -38.95 -32.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.332 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' LYS . 15.3 mttt -48.02 -64.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 93' ' ' ASP . 4.4 m-20 -61.95 -47.2 85.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.651 ' O ' HD12 ' A' ' 95' ' ' ILE . 6.6 mtm180 -46.73 -43.78 18.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.65 -34.81 71.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 90' ' ' ASP . 56.0 m-20 -83.05 -37.16 24.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.933 HD13 ' CE2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -43.28 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 91' ' ' ARG . 1.4 mp -50.01 -53.07 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -35.71 -48.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.933 ' CE2' HD13 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -87.26 -43.02 12.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -41.95 -58.01 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.91 -38.82 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -69.54 -57.44 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.03 -39.39 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.56 -25.18 63.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.854 HBC2 ' O ' ' A' ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.13 60.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.498 ' HZ ' ' HG1' ' A' ' 96' ' ' THR . 5.6 t80 -143.34 128.56 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.19 107.46 19.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' -3' ' ' PHE . . . -70.78 156.04 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' C ' ' HG ' ' A' ' 2' ' ' SER . . . -178.25 -103.23 0.17 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.142 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.504 ' OG ' HG22 ' A' ' 96' ' ' THR . 96.5 p 55.49 -95.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.452 ' N ' ' OG ' ' A' ' 2' ' ' SER . . . 51.16 -143.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -70.25 75.02 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.01 -34.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.76 -24.4 42.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . . . -63.54 -32.43 73.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -11.45 31.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.109 HD22 HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -77.09 -78.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -37.47 -50.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.5 tptt -38.49 -32.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.562 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -134.14 126.53 30.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.421 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 89.61 21.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.712 ' SG ' ' HAB' ' A' ' 104' ' ' HEC . 72.3 m -156.1 -71.77 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 108.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 10' ' ' PHE . 1.8 tp -45.99 -26.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 14' ' ' CYS . 11.2 pt20 -54.36 -27.37 35.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.465 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 95.3 m -113.43 -56.25 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 126.843 3.211 . . . . 0.0 108.294 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -104.84 151.65 23.56 Favored 'General case' 0 C--N 1.381 1.94 0 O-C-N 118.204 -2.81 . . . . 0.0 115.102 -163.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.608 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -109.25 124.87 51.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 111.05 -2.795 . . . . 0.0 110.425 -179.424 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.941 HG21 ' HB1' ' A' ' 101' ' ' ALA . 5.8 p -91.46 -21.79 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.8 159.97 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.632 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 3.1 tttt -78.33 162.81 26.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.64 56.3 22.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.66 126.69 8.27 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.0 -9.46 20.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.559 1.821 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.521 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 12.5 m80 84.03 137.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.584 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -114.54 -100.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 95.6 t -85.92 -24.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.48 170.23 24.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.489 ' CG ' ' O1A' ' A' ' 104' ' ' HEC . 18.3 Cg_endo -74.98 163.21 35.83 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.608 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.7 OUTLIER -68.97 136.18 52.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD11 ' CHB' ' A' ' 104' ' ' HEC . 18.4 mt -89.05 -47.44 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.632 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 1.2 p-80 -38.85 103.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.613 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.96 -25.08 4.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.5 pp -60.81 -158.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.752 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.0 m-85 58.01 92.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 123.99 -11.92 8.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.552 1.157 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 58' ' ' LEU . 20.1 mmt-85 -112.6 174.36 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.702 ' CD2' HD13 ' A' ' 58' ' ' LEU . 4.9 m170 -92.88 115.18 27.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.555 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.447 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 85.6 p 39.01 -160.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -56.32 135.03 50.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.408 ' NE2' ' HD2' ' A' ' 38' ' ' ARG . 8.3 mt-30 -126.5 25.23 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.637 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -74.12 126.91 31.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -111.77 95.25 5.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.92 -47.59 0.86 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 47' ' ' SER . 7.8 t80 -76.07 127.52 33.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.543 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 36.7 p -53.79 128.03 28.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.956 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.637 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -117.41 -175.42 2.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.9 p -108.75 162.27 14.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.04 21.98 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -112.03 -54.38 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 54' ' ' LYS . 1.7 m-20 -65.43 -80.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 48' ' ' TYR . 31.8 mt -39.58 -32.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 52' ' ' ASN . 6.3 mmtp -85.12 46.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.53 -46.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' OD1' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 69.41 37.1 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.64 HG22 HD21 ' A' ' 63' ' ' ASN . 2.6 p -74.61 90.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 39' ' ' HIS . 8.5 tp -51.34 116.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.559 ' CZ2' HG13 ' A' ' 57' ' ' VAL . 52.4 m95 -80.96 140.9 34.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 107.988 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -153.65 -69.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 1.9 tt0 -167.67 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.78 -49.56 68.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.64 HD21 HG22 ' A' ' 57' ' ' VAL . 4.6 t30 -44.59 -64.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.4 ttm -43.49 -44.6 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.576 ' HA ' HD11 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -48.63 -36.73 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.004 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -75.65 -44.52 42.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.552 ' OH ' ' C1A' ' A' ' 104' ' ' HEC . 18.7 t80 -53.9 -43.02 69.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' ' 69' ' ' THR . 20.8 mt -74.42 -176.5 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER 72.88 -55.37 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' N ' HG22 ' A' ' 69' ' ' THR . 8.6 m-80 -134.53 66.93 71.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.51 8.17 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.453 ' CM2' ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.94 0 O-C-N 127.645 3.091 . . . . 0.0 116.578 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -100.49 -59.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.042 -1.435 . . . . 0.0 109.318 174.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CD2' HG13 ' A' ' 75' ' ' ILE . 69.5 t80 -39.54 -53.65 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.559 HG13 ' CD2' ' A' ' 74' ' ' TYR . 50.4 mt -109.4 106.4 58.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 100.73 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 114.88 36.56 1.24 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.2 t -100.95 114.29 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' C ' HMD2 ' A' ' 104' ' ' HEC . 2.6 mttp -60.84 -15.09 26.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.518 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.0 ttt -58.93 92.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.817 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -84.81 69.48 10.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 16.9 t80 -114.99 129.55 56.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.56 -58.26 15.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.503 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 119.28 144.88 7.47 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.006 HD21 HD21 ' A' ' 9' ' ' LEU . 1.4 mt -75.7 -170.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -150.69 -58.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.6 mmmt -60.99 90.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -38.43 -36.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -47.75 -62.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.631 ' HB3' HD11 ' A' ' 9' ' ' LEU . 4.0 m-20 -63.23 -44.94 93.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' NH1' ' OG1' ' A' ' 69' ' ' THR . 15.6 mtm180 -50.75 -41.78 56.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -74.81 -42.15 58.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' A' ' 96' ' ' THR . 90.4 m-20 -55.57 -66.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.109 HD22 HD22 ' A' ' 9' ' ' LEU . 14.6 tp -39.86 -58.48 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 65' ' ' SER . 87.4 mt -42.04 -45.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.504 HG22 ' OG ' ' A' ' 2' ' ' SER . 0.8 OUTLIER -65.46 -55.01 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 7' ' ' ALA . 40.5 t80 -56.71 -40.97 76.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -56.32 -44.93 80.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.74 -46.06 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -46.23 16.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.941 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -48.87 -48.02 42.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 33' ' ' HIS . 6.6 p -74.88 -30.72 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 1.712 ' HAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -5' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 67.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' -5' ' ' THR . 17.6 pt-20 43.72 61.62 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER -51.45 -174.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.54 20.26 10.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . 58.73 158.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -115.9 -33.6 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.16 167.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 110.045 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.46 64.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -126.49 119.19 26.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER 38.26 38.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.03 -55.95 0.86 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.501 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -55.76 -55.52 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.34 -20.46 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.874 HD22 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.46 -77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 58.1 t80 -41.77 -46.12 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.81 -28.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.573 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -129.75 127.26 40.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.573 ' CB ' ' O ' ' A' ' 12' ' ' THR . 1.2 mmt180 90.04 22.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 42.1 m -155.48 -67.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.3 mp -42.67 -42.04 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -42.7 -27.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' HG11 ' A' ' 28' ' ' VAL . 74.2 m -114.1 -59.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 126.861 3.219 . . . . 0.0 108.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -101.41 167.15 10.35 Favored 'General case' 0 C--N 1.381 1.963 0 O-C-N 118.148 -2.845 . . . . 0.0 115.087 -163.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.2 p -141.95 115.59 9.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 111.099 -2.773 . . . . 0.0 110.385 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.58 -23.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -61.8 162.35 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.55 ' CD ' ' NE2' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -88.31 170.51 10.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.39 58.99 3.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.15 147.19 18.36 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.18 32.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 32.0 m-70 -77.88 111.44 13.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 -111.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.774 ' O ' HMD3 ' A' ' 104' ' ' HEC . 90.1 t -84.43 -30.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.76 155.0 20.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -75.03 139.08 23.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.951 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.3 m120 -49.96 118.18 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 35' ' ' ILE . 45.0 mt -72.06 -67.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.55 ' NE2' ' CD ' ' A' ' 22' ' ' LYS . 1.5 t-80 73.93 -138.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.58 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -87.29 59.1 4.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.46 -149.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 51.2 m-85 55.53 100.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 127.26 -32.14 3.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.458 ' NE ' ' OE1' ' A' ' 42' ' ' GLN . 4.9 mmt180 -85.46 171.29 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.685 ' CD2' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -93.44 111.15 22.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.545 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.469 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 84.1 p 40.84 -162.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.531 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -48.73 130.25 22.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.458 ' OE1' ' NE ' ' A' ' 38' ' ' ARG . 9.3 mt-30 -135.02 34.5 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.566 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -72.34 -14.22 61.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 43' ' ' ALA . 2.6 tm-20 33.61 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.83 -46.77 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 4.3 t80 -53.48 140.66 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.6 p -66.08 79.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CE2' ' O2A' ' A' ' 104' ' ' HEC . 3.4 m-85 -80.17 178.07 8.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 p -115.31 -152.2 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.74 23.34 11.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.33 -56.67 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.455 ' ND2' ' O1A' ' A' ' 104' ' ' HEC . 0.4 OUTLIER -63.61 -82.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.582 HD12 ' CB ' ' A' ' 48' ' ' TYR . 14.8 mt -38.67 -32.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' ' C ' ' A' ' 52' ' ' ASN . 12.9 mmtt -84.12 47.86 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.627 ' HD3' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -137.6 -46.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.607 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER 59.9 32.18 21.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.86 HG11 ' CH2' ' A' ' 59' ' ' TRP . 14.4 p -72.34 90.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.685 HD12 ' CD2' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -52.27 96.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.86 ' CH2' HG11 ' A' ' 57' ' ' VAL . 51.5 m95 -58.28 145.48 37.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 108.028 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -141.49 -60.38 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.838 ' HG2' HG21 ' A' ' 95' ' ' ILE . 11.5 tt0 -178.71 -55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.8 OUTLIER -84.28 -56.3 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.621 ' ND2' HG22 ' A' ' 57' ' ' VAL . 1.1 p-10 -40.59 -40.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.59 ' SD ' ' CE1' ' A' ' 36' ' ' PHE . 34.7 ttm -63.51 -44.97 92.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.734 ' HB2' HD11 ' A' ' 95' ' ' ILE . 11.2 t -53.95 -51.75 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -43.74 -48.55 8.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 8.3 t80 -67.62 -48.3 67.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -45.69 -45.43 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.526 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -60.56 -56.59 19.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.526 ' N ' HG22 ' A' ' 69' ' ' THR . 1.4 m120 -124.95 75.3 66.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.05 -29.45 8.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.445 HM13 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.956 0 O-C-N 127.639 3.087 . . . . 0.0 116.597 -178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.16 -68.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.293 175.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -41.99 -39.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.627 HD13 ' HD3' ' A' ' 55' ' ' LYS . 23.8 mm -112.68 95.85 34.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 90.56 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.59 38.62 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.462 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.6 t -105.65 115.22 29.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.439 ' C ' HMD2 ' A' ' 104' ' ' HEC . 4.4 mtpp -58.58 -17.75 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.531 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.4 ttt -57.73 91.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HA ' HM13 ' A' ' 72' ' ' M3L . . . -84.91 84.92 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -120.82 132.31 54.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.86 -53.88 34.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.36 118.54 3.07 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.2 mt -61.73 165.11 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.46 -53.55 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' GLU . 7.4 mmmt -55.57 98.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -37.0 -63.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' ASN . 10.7 mttt -44.42 -56.24 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -44.6 -32.65 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.715 ' O ' HD12 ' A' ' 95' ' ' ILE . 12.8 mtm180 -79.65 -38.6 33.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' LYS . 13.7 m-20 -69.3 -34.21 74.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -69.17 -44.93 71.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.874 HD13 HD22 ' A' ' 9' ' ' LEU . 7.4 tp -57.0 -67.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.838 HG21 ' HG2' ' A' ' 61' ' ' GLU . 6.9 mt -40.7 -51.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.56 -52.13 18.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.501 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 60.8 t80 -71.28 -41.63 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.951 HD11 ' CMB' ' A' ' 104' ' ' HEC . 0.1 OUTLIER -55.48 -52.96 61.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -35.4 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 103' ' ' GLU . 44.3 tttm -74.49 -62.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.73 31.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.6 p -62.75 -25.9 68.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 100' ' ' LYS . 22.3 pt-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.951 ' CMB' HD11 ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.83 75.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.175 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.51 176.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.76 130.87 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -71.76 155.61 40.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . -115.05 -141.07 7.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 168.47 75.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.03 52.12 5.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.3 101.57 10.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt 41.53 49.92 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.54 -45.51 2.5 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -64.36 -58.51 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.26 -26.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.97 HD22 HD13 ' A' ' 94' ' ' LEU . 8.0 tt -71.43 -77.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' O ' ' C ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -43.15 -48.72 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 10' ' ' PHE . 3.0 ttpp -29.82 -73.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 12' ' ' THR . 1.2 m -109.48 60.61 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.806 ' NH1' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -146.84 -60.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB3' ' C4B' ' A' ' 104' ' ' HEC . 0.0 OUTLIER -111.84 -35.57 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 108.314 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD22 ' HA ' ' A' ' 11' ' ' LYS . 4.5 tp -43.43 -36.86 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -48.65 -33.42 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 87.7 m -104.62 -55.44 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 126.812 3.196 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -105.03 162.77 13.08 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 118.151 -2.843 . . . . 0.0 115.15 -163.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.565 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -111.7 115.86 29.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 111.127 -2.761 . . . . 0.0 110.41 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.943 HG23 ' HB1' ' A' ' 101' ' ' ALA . 2.6 p -86.21 -30.86 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -59.51 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.68 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 2.8 ttpt -123.22 -63.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.63 56.56 2.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.26 128.28 6.12 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 159.94 40.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.537 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 16.2 m-70 -73.5 141.63 46.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.613 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -122.33 -97.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 77.0 t -89.99 -23.61 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.94 163.41 26.99 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' HD3' ' CGD' ' A' ' 104' ' ' HEC . 18.1 Cg_endo -75.04 159.67 40.95 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.565 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.9 OUTLIER -64.67 138.42 58.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.833 HD11 ' CHB' ' A' ' 104' ' ' HEC . 18.9 mt -92.77 -47.37 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.68 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -37.86 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.584 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.5 -25.09 4.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.5 pp -60.26 -158.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.739 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.2 m-85 57.83 93.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 121.51 -14.17 9.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.438 1.086 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 38' ' ' ARG . 1.1 mpt_? -111.99 165.33 12.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 110.375 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' ND1' HD12 ' A' ' 58' ' ' LEU . 1.6 m80 -89.06 146.32 24.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.45 ' HB3' HG23 ' A' ' 57' ' ' VAL . 91.0 p -37.86 140.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.67 93.22 0.37 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.117 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -126.51 3.5 6.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 0.803 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -116.71 126.82 53.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -99.72 -48.87 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.253 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.91 -40.52 73.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.537 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 10.3 t80 -94.29 121.58 35.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 89.9 p -62.02 139.73 58.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.547 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -106.4 -177.96 3.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -85.94 157.76 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.62 12.99 13.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.08 -45.88 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 55' ' ' LYS . 13.1 t-20 -60.73 -71.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.3 mt -39.79 -33.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' ASN . 6.5 mmtp -87.52 45.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -141.73 -48.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 58.39 86.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.661 HG11 ' HE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -126.21 102.57 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.514 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.1 tt -62.7 79.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.519 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 53.9 m95 -33.42 142.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.602 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 t0 -148.83 -72.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -169.39 -66.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.85 -46.6 68.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -48.1 -65.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.519 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -47.81 -52.09 20.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.803 ' OG ' HD11 ' A' ' 95' ' ' ILE . 5.5 t -44.59 -46.68 10.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -56.44 -42.93 78.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.659 ' CE1' HD12 ' A' ' 75' ' ' ILE . 25.4 t80 -72.66 -30.53 64.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 65' ' ' SER . 76.3 mt -65.34 -45.88 82.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 66' ' ' GLU . 4.2 t -70.27 -44.5 68.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -130.76 73.32 81.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.498 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 -30.96 6.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.573 HM21 ' CB ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.477 0.906 0 O-C-N 127.593 3.058 . . . . 0.0 116.605 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -66.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.035 -1.438 . . . . 0.0 109.299 175.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.661 ' HE2' HG11 ' A' ' 57' ' ' VAL . 25.4 t80 -40.27 -54.17 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.659 HD12 ' CE1' ' A' ' 67' ' ' TYR . 82.5 mt -108.4 107.91 60.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.49 4.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.27 42.53 5.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 78' ' ' THR . 5.1 t -93.68 108.97 20.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -44.44 -27.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.519 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.4 ttt -58.75 93.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.573 ' CB ' HM21 ' A' ' 72' ' ' M3L . . . -93.03 62.8 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.589 ' HD1' HMC2 ' A' ' 104' ' ' HEC . 17.5 t80 -99.97 144.64 28.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -71.23 95.88 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.61 117.33 1.16 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD21 ' NH1' ' A' ' 13' ' ' ARG . 6.0 mt -69.23 179.23 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -150.86 -55.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.34 92.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' LYS . 5.2 mt-10 -44.23 -33.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -45.24 -66.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -46.51 81.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -47.51 -37.88 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -71.34 -59.85 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -44.34 -51.32 8.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.97 HD13 HD22 ' A' ' 9' ' ' LEU . 11.5 tp -53.5 -67.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.803 HD11 ' OG ' ' A' ' 65' ' ' SER . 53.3 mt -39.62 -54.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -42.47 -48.76 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 100' ' ' LYS . 13.8 t80 -79.2 -45.75 19.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.545 HD23 ' HG ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -43.78 -52.16 6.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.37 -39.45 57.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 103' ' ' GLU . 4.8 tmmm? -72.65 -44.55 61.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.943 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . -42.49 -43.91 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -83.95 -28.25 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.833 ' CHB' HD11 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -62.69 -43.13 99.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.246 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.59 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 6.5 t80 -177.02 95.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 101.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.57 156.15 27.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -90.88 -117.09 1.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p 176.77 -70.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.22 -178.92 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.73 54.01 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -179.01 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.91 -42.02 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -57.23 -59.34 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.13 -22.15 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.908 HD22 HD13 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -67.8 -80.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' LEU . 11.5 t80 -37.31 -39.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -45.63 -44.55 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 67.9 p -124.41 142.84 50.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' C ' HMC3 ' A' ' 104' ' ' HEC . 3.1 mmt180 79.95 19.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.388 ' SG ' ' CAB' ' A' ' 104' ' ' HEC . 0.1 OUTLIER -158.49 -68.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 11' ' ' LYS . 13.5 mt -45.83 -43.49 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -47.43 -24.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.0 m -110.8 -56.82 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 126.831 3.205 . . . . 0.0 108.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -110.3 174.26 5.94 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 118.174 -2.828 . . . . 0.0 115.105 -163.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.547 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 20.5 p -148.41 124.01 10.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 111.078 -2.783 . . . . 0.0 110.426 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.12 -21.96 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.03 179.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 7.2 tttm -115.4 154.12 29.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 77.0 21.53 73.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.519 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -63.73 133.46 40.98 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.03 14.8 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 22.3 m-70 72.65 127.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.633 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -122.59 -99.01 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.43 ' O ' HMD3 ' A' ' 104' ' ' HEC . 40.5 t -85.94 -37.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.38 160.69 23.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.97 140.52 25.64 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.547 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 1.4 m-80 -57.48 119.33 6.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' A' ' 35' ' ' ILE . 78.9 mt -70.49 -66.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.8 OUTLIER 76.69 -136.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.606 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -91.2 59.56 3.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -61.75 -142.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.427 0.722 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 60' ' ' ASP . 26.7 m-85 52.09 103.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.46 -57.0 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 58' ' ' LEU . 18.2 mmt85 -70.54 179.32 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.594 ' CD2' HD12 ' A' ' 58' ' ' LEU . 1.7 m-70 -105.35 121.88 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.496 ' O ' ' C ' ' A' ' 41' ' ' GLY . 51.5 p 35.81 -153.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 40' ' ' SER . . . -30.16 129.45 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.562 1.164 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 46.3 mt-30 -114.95 -0.37 13.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.25 153.67 48.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' GLY . 36.5 mt-10 -108.64 -37.58 5.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' GLU . . . -37.87 -53.69 1.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.577 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -72.8 129.2 37.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.987 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.6 p -73.45 86.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.65 ' CB ' HD12 ' A' ' 53' ' ' ILE . 3.7 m-85 -62.06 -179.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -103.26 177.61 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.74 22.22 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -115.54 -58.8 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.31 -74.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.65 HD12 ' CB ' ' A' ' 48' ' ' TYR . 4.9 mt -41.23 -37.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -85.62 46.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 -47.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 57.68 68.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.69 HG11 ' HE2' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -107.66 106.0 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.594 HD12 ' CD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -57.94 81.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.563 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 43.3 m95 -39.25 135.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 107.979 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 5.8 t0 -154.35 -156.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE2' ' CD2' ' A' ' -3' ' ' PHE . 29.0 tt0 -83.49 -27.01 29.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -113.72 -36.95 4.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -45.84 -62.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.563 ' HG3' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -60.04 -39.53 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.474 ' OG ' ' CD1' ' A' ' 95' ' ' ILE . 16.1 m -51.21 -45.29 61.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.49 -43.67 98.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.569 ' CE1' HD12 ' A' ' 75' ' ' ILE . 9.5 t80 -70.12 -54.75 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.49 -38.0 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.438 ' OG1' ' NH1' ' A' ' 91' ' ' ARG . 0.7 OUTLIER -62.9 -46.73 86.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -140.1 73.01 32.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 -29.59 8.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.45 ' CM2' ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.941 0 O-C-N 127.685 3.116 . . . . 0.0 116.634 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -99.46 -64.77 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.303 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.69 ' HE2' HG11 ' A' ' 57' ' ' VAL . 53.6 t80 -37.59 -48.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 67' ' ' TYR . 64.8 mt -111.02 100.77 47.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 98.26 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.521 1.801 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.53 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 119.78 35.21 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.8 t -95.6 111.11 23.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.4 ' HB3' HMD1 ' A' ' 104' ' ' HEC . 0.0 OUTLIER -55.58 -19.19 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.527 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 14.3 ttt -59.94 95.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.45 ' HA ' ' CM2' ' A' ' 72' ' ' M3L . . . -86.86 59.58 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -97.01 -66.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.51 -65.81 0.5 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.51 148.48 7.07 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.0 mt -86.57 -169.48 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -147.17 -47.79 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -65.41 92.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.0 -32.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -46.85 -64.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.18 -47.12 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 86' ' ' LYS . 5.5 mtm180 -47.66 -44.15 26.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -70.17 -60.38 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 96' ' ' THR . 72.0 m-20 -40.39 -45.18 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.908 HD13 HD22 ' A' ' 9' ' ' LEU . 7.0 tp -54.04 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.474 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 8.4 mt -43.24 -28.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 0.5 OUTLIER -70.54 -47.08 62.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 52.3 t80 -75.58 -44.55 42.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -55.48 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -51.33 -28.97 13.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -65.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.23 -50.83 48.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' HIS . 40.8 m -66.8 -32.13 73.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 1.388 ' CAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.26 72.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' -3' ' ' PHE . 9.3 t80 53.68 105.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -82.4 103.44 11.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -41.47 158.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' HA3' HG21 ' A' ' 96' ' ' THR . . . -107.77 -125.2 5.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p -168.45 170.42 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.16 53.54 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.59 58.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -174.55 -40.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.22 -38.43 5.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.561 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -49.36 -61.48 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -16.98 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.964 HD22 ' HG ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -75.59 -76.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 36.1 t80 -35.79 -47.2 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.532 ' HG3' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -46.75 -49.17 20.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -106.91 123.95 48.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 87.61 23.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.75 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.639 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 mp -46.13 -40.64 11.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -48.6 -25.41 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.7 m -110.88 -56.99 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 126.855 3.217 . . . . 0.0 108.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -108.5 176.01 5.27 Favored 'General case' 0 C--N 1.381 1.939 0 O-C-N 118.165 -2.834 . . . . 0.0 115.126 -163.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.623 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -139.82 135.25 32.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.091 -2.777 . . . . 0.0 110.398 -179.381 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -86.68 -39.21 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 11.1 mttt -127.74 -57.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -40.14 -33.73 0.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.23 124.37 34.93 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.595 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 44.6 m-70 -87.51 135.5 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -123.22 -98.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.593 ' O ' HMD3 ' A' ' 104' ' ' HEC . 41.0 t -95.06 -24.61 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.38 155.46 23.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.485 ' CG ' ' O1A' ' A' ' 104' ' ' HEC . 18.4 Cg_endo -74.97 145.76 31.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.623 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.5 OUTLIER -55.54 127.85 31.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.1 mt -85.74 -64.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER 70.87 -147.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.604 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -78.49 59.56 4.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.29 -143.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.695 ' CE1' ' HE2' ' A' ' 64' ' ' MET . 24.7 m-85 57.38 115.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.01 -31.44 6.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 13.4 mmt-85 -87.96 170.86 10.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' SER . 19.3 m80 -100.05 115.52 29.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.498 ' HB3' HG12 ' A' ' 57' ' ' VAL . 79.7 p 37.37 -155.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -35.21 151.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 26.2 mt-30 -141.04 28.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.54 150.66 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -109.31 -35.41 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.87 -53.27 3.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -72.85 129.36 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.3 p -64.85 81.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CE2' ' CGA' ' A' ' 104' ' ' HEC . 1.9 m-85 -67.84 -176.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 p -109.14 -176.41 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.367 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.79 22.02 16.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -112.69 -57.94 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -60.01 -73.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.407 HD12 ' HB3' ' A' ' 48' ' ' TYR . 19.5 mt -39.76 -38.24 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -86.94 46.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -139.75 -46.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER 69.27 21.05 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.5 p -49.74 92.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ASN . 1.7 tt -58.39 99.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CE3' ' HG2' ' A' ' 64' ' ' MET . 53.8 m95 -63.03 136.39 57.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.555 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 t70 -145.95 -153.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 95' ' ' ILE . 1.0 OUTLIER -87.65 -25.77 23.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -116.47 -42.98 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -41.2 -57.44 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.695 ' HE2' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -58.62 -42.42 88.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.634 ' CB ' HD11 ' A' ' 95' ' ' ILE . 5.6 t -47.37 -40.0 16.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -49.33 61.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.477 ' CE1' HD12 ' A' ' 75' ' ' ILE . 23.8 t80 -61.28 -57.58 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.6 mt -45.09 -42.22 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.518 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -58.77 -60.01 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.518 ' N ' HG22 ' A' ' 69' ' ' THR . 1.0 OUTLIER -132.59 75.86 72.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.457 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.02 -29.82 7.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.53 HM21 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.941 0 O-C-N 127.637 3.086 . . . . 0.0 116.621 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -97.32 -63.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.033 -1.439 . . . . 0.0 109.33 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.484 ' CD2' HG13 ' A' ' 75' ' ' ILE . 75.7 t80 -37.4 -50.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 74' ' ' TYR . 32.8 mt -108.8 101.57 44.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 81.97 2.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.536 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 137.73 44.11 0.08 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 78' ' ' THR . 0.9 OUTLIER -109.49 113.95 27.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.411 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -14.16 33.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.517 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 19.1 ttt -60.29 97.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.53 ' HA ' HM21 ' A' ' 72' ' ' M3L . . . -83.95 62.11 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -99.5 130.12 45.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -43.87 -59.76 3.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.93 111.22 2.74 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.65 169.01 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' O ' ' NE ' ' A' ' 91' ' ' ARG . 14.8 mtmm -152.78 -48.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -64.12 104.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -41.63 -31.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.84 -67.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.23 -48.2 79.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.532 ' O ' HD12 ' A' ' 95' ' ' ILE . 8.4 mtm180 -48.09 -42.04 27.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -68.42 -58.9 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -44.08 -54.02 5.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.964 ' HG ' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -56.55 -68.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.634 HD11 ' CB ' ' A' ' 65' ' ' SER . 11.7 mt -40.4 -36.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.416 HG21 ' HA3' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -66.27 -49.5 66.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 34.6 t80 -73.56 -50.8 19.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.639 HD23 HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -45.21 -50.26 11.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.177 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -55.55 -35.28 65.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLU . 2.1 tmtt? -78.51 -66.2 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -45.81 -47.97 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 38.9 p -68.3 -28.43 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 100' ' ' LYS . 16.7 pt-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.63 HBB1 HD11 ' A' ' 94' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -5' ' ' THR . . . . . 0.452 ' CB ' ' OE1' ' A' ' -4' ' ' GLU . 53.4 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLU . . . . . 0.452 ' OE1' ' CB ' ' A' ' -5' ' ' THR . 20.6 pm0 37.38 41.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' -3' ' ' PHE . 0.3 OUTLIER -67.44 137.78 56.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -93.26 131.13 38.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -91.75 155.63 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -102.99 -38.17 2.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.94 -72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.001 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.25 32.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HG3' ' CA ' ' A' ' 1' ' ' GLY . 3.2 mmtp -69.58 -158.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.14 58.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.7 -53.6 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.8 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . . . -57.25 -52.34 65.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.736 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -18.88 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.926 HD22 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -71.48 -77.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.628 ' CD2' HD13 ' A' ' 15' ' ' LEU . 41.6 t80 -37.06 -43.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.707 ' HA ' HD22 ' A' ' 15' ' ' LEU . 2.0 ttmt -40.21 -42.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.2 p -123.78 148.99 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.497 ' O ' HMC3 ' A' ' 104' ' ' HEC . 5.7 mmt180 77.54 8.08 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.31 -63.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.707 HD22 ' HA ' ' A' ' 11' ' ' LYS . 2.5 tp -46.94 -42.24 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -49.52 -22.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -114.3 -58.14 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 126.876 3.227 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' CE1' ' HA3' ' A' ' 29' ' ' GLY . 93.1 m-70 -109.82 170.15 8.26 Favored 'General case' 0 C--N 1.382 1.982 0 O-C-N 118.126 -2.859 . . . . 0.0 115.126 -163.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.408 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 11.7 p -135.82 113.15 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.457 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.683 HG21 ' CB ' ' A' ' 101' ' ' ALA . 9.7 p -73.14 -29.05 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 3.1 mt-10 -61.83 160.78 11.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.549 ' CG ' ' NE2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -69.44 -163.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.23 41.34 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.4 ' HA3' ' OD1' ' A' ' 31' ' ' ASN . . . -60.47 119.1 17.13 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.79 20.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 12.6 m-70 69.41 107.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -115.94 -98.97 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.441 ' O ' HMD3 ' A' ' 104' ' ' HEC . 60.8 t -81.89 -33.32 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CE1' ' A' ' 18' ' ' HIS . . . -138.59 161.25 25.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -75.02 143.35 28.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.56 1.821 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.7 t30 -41.88 151.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.646 ' HB3' HD12 ' A' ' 35' ' ' ILE . 55.8 mt -128.64 49.98 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' CG ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -47.93 90.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.606 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 24.6 49.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.723 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -38.59 120.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 5.7 m-85 -178.76 122.57 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.14 4.68 57.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.984 ' O ' HD12 ' A' ' 58' ' ' LEU . 23.7 mmt-85 -121.76 176.22 5.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.786 . . . . 0.0 110.333 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.896 ' CE1' HD13 ' A' ' 58' ' ' LEU . 94.0 m-70 -103.32 115.86 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.581 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.462 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 79.4 p 38.56 -158.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -56.85 126.75 42.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -120.41 50.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.8 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -128.2 131.43 48.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -98.73 -52.35 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.17 -48.7 2.12 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -79.91 122.8 27.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 110.994 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.0 p -65.51 83.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.8 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 2.0 m-85 -62.7 -173.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 111.052 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.6 p -109.79 176.48 5.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.23 22.55 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -114.6 -57.06 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' ND2' HD13 ' A' ' 75' ' ' ILE . 0.4 OUTLIER -62.82 -77.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 48' ' ' TYR . 31.6 mt -39.25 -32.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 52' ' ' ASN . 5.9 mmtp -85.01 47.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.42 -47.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER 66.96 10.89 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.627 HG13 ' CZ2' ' A' ' 59' ' ' TRP . 3.0 p -50.88 92.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.984 HD12 ' O ' ' A' ' 38' ' ' ARG . 11.7 tp -54.83 115.96 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.644 ' CE3' ' HE2' ' A' ' 64' ' ' MET . 46.0 m95 -80.19 117.86 21.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 41.5 t0 -114.65 -65.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.473 ' CG ' ' CG2' ' A' ' 95' ' ' ILE . 36.0 tt0 -179.0 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ASN . 4.8 t-20 -95.77 -63.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 58' ' ' LEU . 6.0 p-10 -39.87 -42.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.644 ' HE2' ' CE3' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -48.23 -49.23 33.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.625 ' OG ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -61.47 -49.47 76.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' HG22 ' A' ' 69' ' ' THR . 1.0 OUTLIER -39.61 -32.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.969 ' CE1' HD12 ' A' ' 75' ' ' ILE . 7.7 t80 -86.23 -50.88 6.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.8 mt -42.85 -44.23 4.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 66' ' ' GLU . 3.6 t -64.89 -45.32 86.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.4 ' OD1' ' CB ' ' A' ' 73' ' ' LYS . 6.6 t-20 -129.01 73.43 81.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.493 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.98 -29.6 8.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.508 HM23 ' HD3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.477 0.912 0 O-C-N 127.622 3.076 . . . . 0.0 116.608 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' TYR . 6.1 tttp -97.73 -66.97 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.274 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.481 ' OH ' HG23 ' A' ' 57' ' ' VAL . 2.1 t80 -37.14 -48.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.969 HD12 ' CE1' ' A' ' 67' ' ' TYR . 85.8 mt -110.21 99.73 41.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 89.98 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.541 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 125.87 40.36 0.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 80' ' ' MET . 0.7 OUTLIER -103.24 117.09 33.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.413 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -66.38 -10.51 44.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.525 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 12.1 ttt -59.74 95.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' HA ' HM11 ' A' ' 72' ' ' M3L . . . -88.3 68.69 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.51 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 20.2 t80 -124.55 153.66 41.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.16 98.71 1.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.51 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . -39.08 118.76 0.86 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.85 -56.35 14.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm 77.07 42.12 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLU . 33.0 mmtp -131.61 79.08 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.4 OUTLIER -38.19 -34.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -68.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -65.69 -55.13 19.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -42.8 -44.56 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 36.6 m-20 -53.68 -47.58 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.2 -56.67 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.926 HD12 HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -55.24 -58.05 9.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.625 HD11 ' OG ' ' A' ' 65' ' ' SER . 68.4 mt -40.47 -29.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.444 ' N ' ' C ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -87.36 -50.08 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.8 ' CE2' ' HB2' ' A' ' 7' ' ' ALA . 58.3 t80 -58.97 -45.3 90.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.677 HD12 HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -55.2 -42.3 73.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 5.0 ttpp -64.1 -13.41 47.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.15 -25.8 13.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.683 ' CB ' HG21 ' A' ' 20' ' ' VAL . . . -49.46 -51.08 38.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.5 p -51.47 -21.61 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.7 ' CGA' ' CE2' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -100.3 -59.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' -2' ' ' LYS . 3.5 t80 -66.22 138.95 58.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -2' ' ' LYS . . . . . 0.6 ' O ' ' CZ ' ' A' ' -3' ' ' PHE . 1.1 tptm -88.45 161.4 17.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -86.96 163.96 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.556 ' CA ' HG21 ' A' ' 96' ' ' THR . . . -120.52 97.56 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -83.57 51.14 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 0.74 . . . . 0.0 109.974 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 4' ' ' LYS . . . 43.33 -164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 20.0 pttp 39.71 67.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 164.86 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.53 -41.33 5.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -59.79 -73.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.11 -29.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.014 HD22 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -65.21 -77.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.725 ' CD2' HD13 ' A' ' 15' ' ' LEU . 56.5 t80 -40.86 -27.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.74 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.5 ttmt -58.18 -44.45 88.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.9 p -122.38 146.43 47.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.438 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' O ' HMC3 ' A' ' 104' ' ' HEC . 4.5 mmt180 76.83 7.59 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.46 ' SG ' ' CAB' ' A' ' 104' ' ' HEC . 74.1 m -147.08 -66.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.74 HD22 ' HA ' ' A' ' 11' ' ' LYS . 1.5 tp -44.71 -34.86 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -48.94 -23.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.2 m -109.79 -56.1 2.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 126.795 3.188 . . . . 0.0 108.303 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -109.91 176.18 5.16 Favored 'General case' 0 C--N 1.381 1.95 0 O-C-N 118.178 -2.826 . . . . 0.0 115.127 -163.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.552 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -135.55 126.64 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 111.078 -2.783 . . . . 0.0 110.39 -179.392 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.782 ' CG2' ' HB1' ' A' ' 101' ' ' ALA . 4.1 p -86.6 -33.27 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.19 157.89 33.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.564 ' HD2' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -73.96 -170.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.57 59.61 1.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.28 126.57 5.43 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 124.64 8.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.7 m-70 -46.07 144.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -132.86 -94.18 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.581 ' O ' HMD3 ' A' ' 104' ' ' HEC . 45.3 t -95.74 -27.84 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.53 160.39 26.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.04 143.54 29.06 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -52.95 133.21 38.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD11 ' CHB' ' A' ' 104' ' ' HEC . 10.0 mt -102.9 24.62 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HD2' ' A' ' 22' ' ' LYS . 53.2 t60 -80.59 94.86 6.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.494 ' O ' ' NE2' ' A' ' 42' ' ' GLN . . . 102.25 57.74 0.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.563 1.164 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.751 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.3 pp -116.0 -161.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.751 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 m-85 59.65 116.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.82 27.32 6.72 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.547 ' O ' HD12 ' A' ' 58' ' ' LEU . 20.8 mmt180 -151.35 -173.63 4.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.626 ' NE2' HD13 ' A' ' 58' ' ' LEU . 5.1 m80 -106.48 155.87 19.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.64 ' HB3' HG12 ' A' ' 57' ' ' VAL . 77.5 p -39.56 129.4 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.593 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 102.54 76.5 1.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.5 ' NE2' ' HA ' ' A' ' 35' ' ' ILE . 4.4 mt-30 -111.44 35.13 3.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.625 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -142.17 134.82 28.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -110.59 91.29 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.51 -47.01 0.89 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 1.3 t80 -55.45 131.62 46.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -72.96 94.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.625 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 2.8 m-85 -77.99 175.45 10.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 p -101.7 173.97 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.51 23.21 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.33 -54.74 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 55' ' ' LYS . 14.0 t-20 -63.2 -77.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 48' ' ' TYR . 15.9 mt -41.5 -34.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -87.75 43.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -141.94 -47.01 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 1.3 t-20 83.24 39.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.64 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.7 p -72.04 88.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.626 HD13 ' NE2' ' A' ' 39' ' ' HIS . 7.0 tp -63.09 99.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.557 ' CZ2' HAA1 ' A' ' 104' ' ' HEC . 43.5 m95 -62.09 118.59 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 108.007 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.563 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -136.44 -70.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -169.15 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -61.33 -35.64 77.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -63.09 -60.96 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 36' ' ' PHE . 29.1 ttm -53.62 -42.77 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.518 ' OG ' HD11 ' A' ' 95' ' ' ILE . 29.1 t -51.48 -44.83 62.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.05 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -61.26 -37.83 84.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.576 ' CE1' HG13 ' A' ' 75' ' ' ILE . 15.4 t80 -73.27 -35.16 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.435 HD22 ' C2B' ' A' ' 104' ' ' HEC . 24.8 mt -67.72 -47.62 68.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.1 t -68.56 -44.11 75.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -130.17 73.86 80.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.496 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -30.44 7.22 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.467 1.772 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.469 ' CM2' ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.953 0 O-C-N 127.654 3.096 . . . . 0.0 116.595 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -97.09 -71.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.289 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -38.42 -49.15 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 67' ' ' TYR . 6.6 mm -102.33 107.2 52.44 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 99.97 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.446 1.761 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.8 54.0 1.58 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.452 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.8 t -106.0 115.01 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -52.22 -22.5 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.561 ' HE1' ' NB ' ' A' ' 104' ' ' HEC . 21.4 ttt -59.85 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.598 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -89.81 78.03 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -106.73 135.64 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -38.46 -55.13 2.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.13 104.03 2.7 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' A' ' 91' ' ' ARG . 83.2 mt -50.53 179.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' O ' ' NH2' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -162.59 -48.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -69.35 88.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' HG3' ' NH2' ' A' ' 91' ' ' ARG . 1.5 mt-10 -40.39 -31.31 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -65.54 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.01 -44.86 83.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.554 ' HG2' HD13 ' A' ' 85' ' ' LEU . 10.4 mtm180 -54.22 -42.3 69.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.427 HD21 ' HD1' ' A' ' -3' ' ' PHE . 27.0 m120 -66.99 -49.19 66.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -49.45 -49.47 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.014 HD12 HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -72.88 -55.84 6.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.518 HD11 ' OG ' ' A' ' 65' ' ' SER . 26.0 mt -39.42 -30.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.556 HG21 ' CA ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -83.88 -50.36 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 94' ' ' LEU . 54.3 t80 -63.76 -49.88 71.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.883 HD12 HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -50.77 -40.83 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -35.96 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' GLU . 14.4 ttmm -82.25 -44.17 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.782 ' HB1' ' CG2' ' A' ' 20' ' ' VAL . . . -40.23 -41.24 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -27.81 17.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 100' ' ' LYS . 7.3 pt-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 1.46 ' CAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -5' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' -4' ' ' GLU . 4.3 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' -5' ' ' THR . 1.6 mp0 -113.96 -59.26 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -176.04 149.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -118.64 138.14 52.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.05 156.07 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -138.93 -63.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 3.2 p 79.88 106.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 110.035 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.15 67.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.55 51.27 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.72 59.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.98 -49.03 1.52 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -61.87 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.739 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -28.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.951 HD22 ' CD1' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -80.93 -76.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.68 ' HB2' HD21 ' A' ' 94' ' ' LEU . 58.1 t80 -39.59 -53.4 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.9 tptt -39.92 -29.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.561 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -122.56 127.31 49.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.561 ' CB ' ' O ' ' A' ' 12' ' ' THR . 2.0 mmt180 89.26 19.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.4 m -155.56 -64.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.6 mp -43.64 -37.32 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -45.78 -25.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.623 ' SG ' HG11 ' A' ' 28' ' ' VAL . 99.3 m -117.87 -60.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 126.904 3.24 . . . . 0.0 108.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -100.58 149.35 23.82 Favored 'General case' 0 C--N 1.382 1.993 0 O-C-N 118.109 -2.869 . . . . 0.0 115.122 -163.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.7 p -124.91 124.48 42.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 111.096 -2.774 . . . . 0.0 110.408 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.056 HG21 ' HB1' ' A' ' 101' ' ' ALA . 2.5 p -85.64 -7.06 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.47 156.11 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.601 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -71.62 179.26 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.73 58.58 5.35 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -95.17 118.75 5.96 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.92 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 27.0 m-70 72.44 126.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.547 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 -100.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.727 ' O ' HMD3 ' A' ' 104' ' ' HEC . 82.9 t -87.23 -34.56 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.51 161.79 23.68 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.99 134.31 17.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.556 1.819 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.525 ' ND2' ' HA3' ' A' ' 24' ' ' GLY . 1.7 m-80 -47.46 119.15 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD11 ' CHB' ' A' ' 104' ' ' HEC . 22.5 mt -66.82 -48.27 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.606 ' CG ' ' O ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -37.51 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.67 -20.6 4.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.692 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.8 pp -66.21 -166.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 0.777 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 2.6 m-85 57.92 107.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.46 4.66 8.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -150.28 -168.22 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' CE1' HD13 ' A' ' 58' ' ' LEU . 1.5 m80 -101.3 174.44 5.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.614 ' HB3' HG12 ' A' ' 57' ' ' VAL . 57.7 p -49.25 131.61 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 95.05 78.51 1.42 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -111.5 23.35 14.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.501 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -125.71 137.65 53.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -114.39 -11.47 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.5 3.77 37.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -123.25 128.78 50.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -75.05 127.47 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 5.2 m-85 -104.13 -172.09 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 p -117.79 -171.39 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.1 24.32 10.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.85 -56.74 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' LYS . 36.3 t-20 -59.92 -73.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 52' ' ' ASN . 20.6 mt -39.78 -33.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -86.46 46.54 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -129.55 -45.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.49 32.61 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.7 p -75.5 92.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.509 HD13 ' CE1' ' A' ' 39' ' ' HIS . 3.9 tp -64.78 99.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.588 ' CZ2' HAA1 ' A' ' 104' ' ' HEC . 45.1 m95 -61.0 114.92 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.026 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' C ' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -136.79 -66.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -175.93 -76.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -59.06 -46.52 88.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.413 HD21 HG23 ' A' ' 57' ' ' VAL . 18.1 t30 -54.02 -56.09 21.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.62 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 3.5 tpp -48.69 -36.2 15.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 5.8 t -57.88 -33.57 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.02 -50.33 29.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.519 ' HE1' HD12 ' A' ' 75' ' ' ILE . 56.4 t80 -42.89 -42.06 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' THR . 20.7 mt -74.54 -170.36 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.5 OUTLIER 77.55 -53.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.501 ' N ' HG22 ' A' ' 69' ' ' THR . 1.8 m-20 -148.6 82.15 7.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.4 8.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.475 ' CM2' ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.962 0 O-C-N 127.711 3.132 . . . . 0.0 116.549 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -58.55 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.035 -1.439 . . . . 0.0 109.265 175.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -42.99 -57.31 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.57 HG22 ' HB ' ' A' ' 78' ' ' THR . 79.2 mt -111.52 97.93 38.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 93.05 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.34 39.89 0.46 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.57 ' HB ' HG22 ' A' ' 75' ' ' ILE . 8.2 t -110.57 112.27 24.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -44.87 -26.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.49 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.1 ttt -57.13 90.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HA ' ' CM2' ' A' ' 72' ' ' M3L . . . -88.1 72.47 9.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.752 ' HZ ' HD23 ' A' ' 85' ' ' LEU . 11.2 t80 -117.35 106.92 13.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.06 -55.39 6.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.568 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 113.01 131.39 5.48 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.844 HD11 ' HG2' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -71.42 -25.5 62.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.78 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 50.68 36.96 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.167 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -127.18 71.14 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -38.34 -44.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.93 -58.12 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.61 -37.79 87.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.844 ' HG2' HD11 ' A' ' 85' ' ' LEU . 19.0 mtm180 -60.19 -42.26 94.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -50.41 -38.06 41.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -67.75 -53.87 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.951 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -55.87 -63.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.2 mt -40.08 -40.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.07 -50.24 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.501 ' CE2' ' HB2' ' A' ' 101' ' ' ALA . 60.6 t80 -71.13 -40.68 71.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.784 ' CD1' HD23 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -53.79 -49.31 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -44.66 -37.94 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -86.73 -51.75 5.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.056 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -44.27 -37.5 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.6 m -92.01 -26.9 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' LYS . 15.7 pt-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.727 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.46 60.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.444 ' CE1' HG22 ' A' ' 95' ' ' ILE . 10.0 t80 -96.68 145.45 25.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 131.44 55.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -81.91 156.33 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . -137.66 -134.6 3.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -157.17 172.28 18.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.952 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.37 54.03 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -172.42 59.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 93' ' ' ASP . . . -90.88 -40.26 5.61 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.41 -55.99 5.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -38.78 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.71 ' HB3' HD23 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -61.05 -75.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.67 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 51.6 t80 -44.17 -25.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.0 tmtt? -52.8 -53.91 41.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.1 p -125.02 30.33 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.524 ' HB2' HD23 ' A' ' 9' ' ' LEU . 4.5 mmt85 -144.76 40.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER 171.53 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.284 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -45.92 -36.37 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -49.75 -22.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.25 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.441 ' SG ' HG11 ' A' ' 28' ' ' VAL . 80.2 m -121.34 -60.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 126.853 3.216 . . . . 0.0 108.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' CE1' HD11 ' A' ' 32' ' ' LEU . 93.0 m-70 -104.43 154.4 19.91 Favored 'General case' 0 C--N 1.382 1.979 0 O-C-N 118.114 -2.866 . . . . 0.0 115.142 -163.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.7 p -120.4 87.95 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 111.108 -2.769 . . . . 0.0 110.379 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.853 HG23 ' HB1' ' A' ' 101' ' ' ALA . 3.4 p -48.45 -36.52 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.6 mt-10 -43.48 166.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HE3' ' HE1' ' A' ' 33' ' ' HIS . 7.3 tttt -86.17 159.4 19.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.87 57.46 3.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.98 143.36 16.17 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.84 8.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 23.2 m-70 -53.99 116.4 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -106.32 -103.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.537 ' O ' HMD3 ' A' ' 104' ' ' HEC . 85.5 t -81.5 -37.24 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.1 170.14 22.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.97 139.13 24.01 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -39.41 155.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD11 ' CE1' ' A' ' 18' ' ' HIS . 57.1 mt -130.53 51.53 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.581 ' HE1' ' HE3' ' A' ' 22' ' ' LYS . 13.3 t-160 -59.46 -131.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 102' ' ' SER . . . -78.18 55.78 3.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.446 HD13 ' O ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -60.36 -152.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 0.0 109.345 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 64' ' ' MET . 3.6 m-30 56.61 115.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.84 24.18 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.466 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 48.3 mmt-85 -149.1 -173.83 4.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.741 ' CE1' HD13 ' A' ' 58' ' ' LEU . 13.3 m80 -105.44 159.86 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -38.92 131.22 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 91.58 86.04 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 29.2 mt-30 -106.35 29.76 6.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.15 125.6 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.83 -43.68 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.32 95.52 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -81.96 124.54 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.5 p -79.29 118.74 21.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.606 ' HB2' HD11 ' A' ' 53' ' ' ILE . 5.4 m-85 -93.35 177.2 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.5 p -93.51 179.29 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.55 22.2 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB1' HG22 ' A' ' 75' ' ' ILE . . . -104.84 -62.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.434 ' HA ' HD12 ' A' ' 75' ' ' ILE . 64.0 t30 -61.61 -66.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 48' ' ' TYR . 67.1 mt -43.24 -39.71 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -87.06 46.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' NZ ' ' CZ ' ' A' ' 74' ' ' TYR . 2.0 tptm -138.74 -47.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.2 33.05 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.772 HG11 ' CH2' ' A' ' 59' ' ' TRP . 9.8 p -73.81 98.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.741 HD13 ' CE1' ' A' ' 39' ' ' HIS . 5.2 tp -63.32 110.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.772 ' CH2' HG11 ' A' ' 57' ' ' VAL . 32.1 m95 -70.72 123.21 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 7.6 t0 -127.58 -70.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 18.8 tt0 -178.08 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.487 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -90.73 -62.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.659 HD22 HG22 ' A' ' 57' ' ' VAL . 6.8 p-10 -40.07 -42.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -50.32 -55.47 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -47.29 -44.53 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -52.23 -43.82 64.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.507 ' CD2' ' HE2' ' A' ' 64' ' ' MET . 12.9 t80 -73.27 -57.91 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.8 mt -42.18 -41.15 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -61.53 -54.39 43.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.467 ' N ' HG22 ' A' ' 69' ' ' THR . 4.6 m-80 -133.24 73.75 73.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.0 -29.48 8.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.807 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.754 HM21 ' CB ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.959 0 O-C-N 127.638 3.086 . . . . 0.0 116.576 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.63 -69.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.075 -1.421 . . . . 0.0 109.297 175.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CZ ' ' NZ ' ' A' ' 55' ' ' LYS . 38.1 t80 -38.1 -51.17 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.56 HG22 ' HB1' ' A' ' 51' ' ' ALA . 16.5 mm -92.97 112.14 54.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.413 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.07 91.02 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.38 57.18 0.8 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.7 t -98.91 109.9 22.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -27.51 19.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.523 ' HG3' ' C4C' ' A' ' 104' ' ' HEC . 14.3 ttt -63.06 97.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.754 ' CB ' HM21 ' A' ' 72' ' ' M3L . . . -90.09 75.7 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -103.03 -68.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.55 -70.58 0.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.72 156.49 7.66 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 6.4 mt -89.89 -59.41 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER 84.46 -54.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -64.54 84.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 2.3 mt-10 -40.61 -39.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -60.54 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' CG ' HD12 ' A' ' 9' ' ' LEU . 6.1 m-20 -62.76 -40.56 97.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CZ ' ' HG3' ' A' ' 88' ' ' GLU . 10.4 mtm180 -54.49 -40.22 68.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -65.21 -53.18 48.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' HB3' ' CA ' ' A' ' 6' ' ' GLY . 50.7 m-20 -53.33 -49.26 67.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.71 HD23 ' HB3' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -59.06 -61.58 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.444 HG22 ' CE1' ' A' ' -3' ' ' PHE . 45.8 mt -49.53 -42.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -44.59 -48.81 10.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.401 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -89.72 -37.9 14.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.6 HD23 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -57.35 -32.77 67.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 21.8 ttpp -36.8 -34.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -126.14 -62.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.853 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . 76.05 -5.47 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.426 ' HB2' ' CA ' ' A' ' 34' ' ' GLY . 1.5 t -94.17 -44.62 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.537 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -149.67 68.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.489 ' CG ' ' N ' ' A' ' -2' ' ' LYS . 11.1 t80 56.48 162.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -2' ' ' LYS . . . . . 0.489 ' N ' ' CG ' ' A' ' -3' ' ' PHE . 0.1 OUTLIER -127.32 131.06 50.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -92.28 156.05 17.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 169.93 71.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.469 ' CB ' HG22 ' A' ' 96' ' ' THR . 0.9 OUTLIER -129.43 -71.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.046 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 5' ' ' LYS . . . 40.0 -156.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 72.45 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 3' ' ' ALA . 56.6 tttt -170.93 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.55 -26.91 23.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -45.34 -36.52 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -24.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.003 HD22 HD22 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -65.42 -76.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CE2' ' HB ' ' A' ' 20' ' ' VAL . 40.6 t80 -42.26 -38.19 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.47 -39.02 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.6 p -131.34 155.42 47.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.665 ' O ' HMC3 ' A' ' 104' ' ' HEC . 5.4 mmt180 75.98 9.83 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 m -151.0 -62.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.17 -38.69 12.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -51.09 -22.82 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.352 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.47 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 83.2 m -113.69 -59.55 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 126.889 3.233 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.723 ' CG ' HD11 ' A' ' 32' ' ' LEU . 96.9 m-70 -105.34 147.38 28.23 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 118.138 -2.852 . . . . 0.0 115.082 -163.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.5 p -110.62 102.43 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.38 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.791 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.7 p -50.57 -46.56 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -50.38 164.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.534 ' HD3' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -89.36 178.91 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.12 54.1 3.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.68 148.34 19.21 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.33 21.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.566 1.824 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 34.5 m-70 70.53 133.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -117.67 -96.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.692 ' O ' HMD3 ' A' ' 104' ' ' HEC . 92.8 t -89.72 -23.94 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.68 167.81 25.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' CG ' ' O1A' ' A' ' 104' ' ' HEC . 18.2 Cg_endo -75.04 162.5 36.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 3.7 t-20 -61.26 148.35 41.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.723 HD11 ' CG ' ' A' ' 18' ' ' HIS . 14.0 mt -116.69 32.85 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CE1' ' HD3' ' A' ' 22' ' ' LYS . 12.3 t-80 -70.17 112.67 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' N ' ' OG ' ' A' ' 102' ' ' SER . . . 45.61 89.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -112.08 -32.24 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' N ' HG12 ' A' ' 35' ' ' ILE . 47.1 m-85 -61.89 74.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 156.21 -22.57 0.51 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 11.0 mmt85 -94.35 171.75 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -97.77 153.59 18.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.434 ' HB3' HG23 ' A' ' 57' ' ' VAL . 94.7 p -37.17 120.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.562 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 89.04 110.5 1.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.421 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 29.9 mt-30 -139.26 27.67 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -110.33 129.41 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -112.6 90.57 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.67 -46.49 1.0 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 10.9 t80 -74.9 123.64 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 0.801 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.445 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 60.1 p -59.27 132.81 55.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -107.98 -178.41 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -96.36 163.86 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.57 21.94 8.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -111.37 -50.78 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.4 t-20 -66.68 -70.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' ASN . 36.3 mt -39.35 -33.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' ASN . 15.4 mmtp -86.57 46.39 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' HA ' ' CE ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -141.49 -47.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 56.97 85.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.904 HG11 ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -129.83 101.31 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.2 tp -62.94 78.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' LEU . 56.2 m95 -32.31 133.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 107.992 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -122.81 -72.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -163.4 -70.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 65' ' ' SER . 4.8 m-20 -70.32 -29.78 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 65' ' ' SER . 3.1 t30 -47.07 -72.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 33.3 ttm -39.77 -28.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.511 ' HB2' HD11 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -64.34 -51.97 60.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.652 ' O ' HG22 ' A' ' 69' ' ' THR . 2.7 tp10 -47.05 -48.01 22.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.904 ' OH ' HG11 ' A' ' 57' ' ' VAL . 25.0 m-85 -75.08 -45.91 38.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 68' ' ' LEU . 9.9 mt -48.77 -24.69 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -95.86 -28.22 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' TYR . 10.8 t-20 -146.85 71.03 12.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.0 -29.42 8.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.634 HM33 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.937 0 O-C-N 127.643 3.09 . . . . 0.0 116.62 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -107.79 -57.18 2.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.298 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.792 ' CD2' ' CE1' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -60.02 -50.46 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.962 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.2 mt -94.11 111.82 54.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.433 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.02 108.77 2.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.33 53.27 3.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 78' ' ' THR . 5.6 t -91.46 108.43 19.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -46.78 -25.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.506 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 16.0 ttt -57.84 91.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.665 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -86.01 81.59 8.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -120.08 134.13 55.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -48.57 -60.35 5.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.42 118.77 2.75 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 mt -56.66 -167.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -170.34 -39.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 6.9 mmmm -73.7 92.77 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -34.67 -61.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -57.39 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.46 -35.47 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.651 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.1 mtm180 -73.21 -39.62 65.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -62.6 -46.98 85.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 96' ' ' THR . 17.1 m-20 -53.72 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.003 HD22 HD22 ' A' ' 9' ' ' LEU . 12.7 tp -46.56 -65.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 91' ' ' ARG . 19.2 mt -40.27 -31.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.469 HG22 ' CB ' ' A' ' 2' ' ' SER . 0.6 OUTLIER -79.48 -50.79 10.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.652 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 46.5 t80 -64.1 -48.32 76.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.549 HD13 ' HG ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -52.41 -48.95 65.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -45.61 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -74.38 -48.34 28.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.791 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -51.04 -43.42 60.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.368 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -66.69 -24.01 66.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.692 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -5' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' -5' ' ' THR . 9.5 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' -3' ' ' PHE . 3.6 tp10 -176.15 -59.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.474 ' CG ' ' O ' ' A' ' -3' ' ' PHE . 0.8 OUTLIER -37.84 102.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' -2' ' ' LYS . . . . . 0.422 ' HB2' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -60.65 123.79 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 1' ' ' GLY . . . -81.98 153.54 26.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.521 ' HA2' HG21 ' A' ' 96' ' ' THR . . . 39.23 93.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.61 ' HG ' ' N ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -128.98 42.21 3.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.006 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' SER . . . -37.91 102.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 1.5 mttp -154.03 43.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 88.38 54.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.95 -41.73 4.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.653 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -54.95 -55.39 31.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -18.36 16.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.741 HD22 ' CD2' ' A' ' 94' ' ' LEU . 2.8 tt -70.25 -76.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 62.8 t80 -40.37 -44.59 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.2 tppt? -40.05 -35.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.7 p -126.2 154.09 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.465 ' O ' HMC3 ' A' ' 104' ' ' HEC . 18.6 mmt-85 73.31 10.42 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.1 m -153.98 -68.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.69 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -41.16 -45.55 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -39.08 -29.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.532 ' SG ' HG11 ' A' ' 28' ' ' VAL . 72.3 m -106.42 -56.31 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 126.842 3.211 . . . . 0.0 108.266 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -104.29 175.96 5.31 Favored 'General case' 0 C--N 1.381 1.968 0 O-C-N 118.179 -2.826 . . . . 0.0 115.091 -163.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.473 HG23 ' CG ' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -142.19 141.85 32.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.378 -179.392 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG21 ' HB1' ' A' ' 101' ' ' ALA . 2.1 p -93.94 -40.42 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.03 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 1.7 tttm -105.34 155.83 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.85 -38.28 3.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -37.69 135.03 0.99 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.58 7.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 27.6 m-70 -93.6 133.12 37.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.633 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -119.8 -99.22 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.977 ' O ' HMD3 ' A' ' 104' ' ' HEC . 76.6 t -94.38 -24.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.59 158.14 25.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.01 145.61 31.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.473 ' CG ' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -57.17 128.25 36.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HB3' HD12 ' A' ' 35' ' ' ILE . 35.9 mt -84.04 -63.4 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 0.8 OUTLIER 70.15 -131.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.574 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -93.78 60.69 2.05 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.63 -147.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' A' ' 35' ' ' ILE . 62.6 m-85 57.05 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.07 29.88 5.62 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 8.7 mmt-85 -150.78 -176.38 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.751 ' CE1' HD13 ' A' ' 58' ' ' LEU . 1.7 m-70 -105.17 163.48 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.741 ' HB3' HG12 ' A' ' 57' ' ' VAL . 78.9 p -47.95 130.71 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.564 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 91.39 85.67 1.45 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 37.5 mt-30 -103.88 27.48 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 0.795 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.56 131.58 8.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -95.86 -48.52 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.22 -46.67 8.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.6 t80 -69.11 133.74 48.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 0.738 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 p -77.77 119.22 20.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CE2' ' O1A' ' A' ' 104' ' ' HEC . 6.1 m-85 -99.86 -173.81 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.1 p -115.03 -153.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.38 22.32 12.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.1 -64.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LYS . 26.0 t-20 -58.53 -72.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ASN . 19.9 mt -40.03 -38.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -87.11 46.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' ASN . 11.6 tptt -139.79 -48.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.564 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 65.88 34.48 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.741 HG12 ' HB3' ' A' ' 40' ' ' SER . 3.2 p -68.18 92.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.751 HD13 ' CE1' ' A' ' 39' ' ' HIS . 6.9 tp -57.61 114.35 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.44 ' CZ2' HG13 ' A' ' 57' ' ' VAL . 56.9 m95 -78.15 127.77 32.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -140.07 -65.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 3.0 tt0 -168.35 -72.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ASN . 4.6 m-20 -57.91 -64.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.736 HD21 HG22 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -40.19 -58.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.803 ' SD ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -37.81 -34.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.622 ' OG ' HD11 ' A' ' 95' ' ' ILE . 2.7 t -81.72 -45.35 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.543 ' OE2' ' CD1' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -46.48 -24.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.797 ' CE1' HD12 ' A' ' 75' ' ' ILE . 56.5 t80 -93.65 -59.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.803 HD11 ' SD ' ' A' ' 64' ' ' MET . 33.0 mt -41.56 -43.47 2.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 70' ' ' ASN . 15.3 t -59.37 -49.86 76.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.419 ' N ' ' CG2' ' A' ' 69' ' ' THR . 1.0 OUTLIER -139.73 76.26 29.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.02 -29.53 8.1 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.556 HM31 ' HB1' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.926 0 O-C-N 127.638 3.087 . . . . 0.0 116.634 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -90.5 -67.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.324 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CD1' ' OE2' ' A' ' 66' ' ' GLU . 19.4 t80 -40.11 -46.89 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.797 HD12 ' CE1' ' A' ' 67' ' ' TYR . 73.5 mt -114.59 92.3 28.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 82.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.05 44.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.52 ' HB ' HG22 ' A' ' 75' ' ' ILE . 7.1 t -112.54 114.88 27.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.428 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -23.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.52 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.7 ttt -60.1 92.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.556 ' HB1' HM31 ' A' ' 72' ' ' M3L . . . -91.2 76.77 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.583 ' HD2' ' HHC' ' A' ' 104' ' ' HEC . 16.8 t80 -105.72 145.81 30.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.452 ' O ' ' CE1' ' A' ' 82' ' ' PHE . . . -72.06 99.93 0.9 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -37.53 104.36 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.97 -170.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -169.58 -42.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -54.86 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.8 pt-20 -38.26 -59.73 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.356 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ASN . 5.9 mttp -43.42 -59.72 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.09 -32.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' GLU . 9.6 mtm180 -89.2 -40.05 13.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' -2' ' ' LYS . 97.9 m-20 -49.06 -46.67 44.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.61 ' N ' ' HG ' ' A' ' 2' ' ' SER . 0.4 OUTLIER -70.41 -58.53 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.741 ' CD2' HD22 ' A' ' 9' ' ' LEU . 3.3 tp -42.72 -69.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.622 HD11 ' OG ' ' A' ' 65' ' ' SER . 9.3 mt -41.96 -28.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.521 HG21 ' HA2' ' A' ' 1' ' ' GLY . 0.3 OUTLIER -81.33 -45.66 15.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.653 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 54.3 t80 -72.71 -47.18 49.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -45.02 -47.66 11.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -66.1 -33.58 76.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -67.79 -55.99 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.401 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -65.73 -44.48 85.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 75.4 m -60.36 -32.86 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.977 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -5' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' -5' ' ' THR . 20.0 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' -3' ' ' PHE . 4.7 tt0 -177.65 -58.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' -4' ' ' GLU . 9.7 t80 56.74 113.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 100.81 12.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -40.53 156.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -127.65 -110.26 1.59 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -167.62 153.3 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.93 176.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.77 77.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.04 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.37 -37.85 6.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -41.4 -68.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -29.22 27.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.709 HD11 ' OD2' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -67.03 -76.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 82.8 t80 -39.3 -43.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HA ' HD22 ' A' ' 15' ' ' LEU . 3.3 ttmt -40.15 -38.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' LEU . 68.7 p -124.95 151.99 44.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 10.1 mmt180 75.88 13.83 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.743 ' SG ' ' HAB' ' A' ' 104' ' ' HEC . 3.3 m -156.49 -66.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.351 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.573 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.9 tp -41.75 -40.9 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -41.95 -27.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.459 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 61.6 m -113.23 -61.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 126.916 3.246 . . . . 0.0 108.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.543 ' CE1' HD21 ' A' ' 32' ' ' LEU . 94.9 m-70 -96.97 157.75 15.75 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 118.14 -2.85 . . . . 0.0 115.124 -163.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -113.99 119.79 38.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 111.131 -2.758 . . . . 0.0 110.352 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 2.3 p -67.55 -36.59 76.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -78.13 -154.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 3.1 tttt -120.63 -42.53 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.98 63.84 0.35 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -151.98 126.58 2.08 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.56 8.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.552 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 40.8 m-70 -39.86 132.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.37 -98.86 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.817 ' O ' HMD3 ' A' ' 104' ' ' HEC . 56.2 t -91.79 -24.65 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.92 161.19 25.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' CG ' ' O2A' ' A' ' 104' ' ' HEC . 18.3 Cg_endo -74.93 159.03 42.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -61.88 146.66 49.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 18' ' ' HIS . 8.4 mt -111.74 36.37 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 1.3 t60 -65.4 94.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.56 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.77 93.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.726 HD13 ' H ' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -106.56 -36.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 14.6 m-85 -60.55 75.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 160.52 -25.19 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 10.4 mmt180 -96.22 172.37 8.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -100.71 155.48 17.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' HG23 ' A' ' 57' ' ' VAL . 88.3 p -37.82 119.64 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 89.91 110.89 1.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 36.6 mt-30 -137.27 23.25 2.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.615 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -136.15 127.36 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -100.19 -54.62 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.64 -42.78 20.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 19.2 t80 -89.69 121.94 32.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 p -61.17 137.98 58.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.615 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -109.17 -176.08 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -97.82 161.44 13.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.3 20.15 6.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.16 -56.37 2.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 43.7 t30 -63.71 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.1 mt -41.05 -35.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -87.01 46.81 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -139.26 -51.39 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.87 86.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -133.43 103.57 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.0 OUTLIER -62.41 79.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.578 ' CE3' ' HE3' ' A' ' 64' ' ' MET . 57.8 m95 -33.98 123.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.574 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -121.34 -66.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.544 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 15.4 tt0 179.21 -36.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.7 -62.24 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.423 ' CG ' ' N ' ' A' ' 64' ' ' MET . 5.7 p-10 -41.07 -40.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.578 ' HE3' ' CE3' ' A' ' 59' ' ' TRP . 4.0 ttm -64.1 -59.45 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.474 ' HB2' HD11 ' A' ' 95' ' ' ILE . 53.8 p -46.08 -42.23 13.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 69' ' ' THR . 10.7 tt0 -56.73 -35.81 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.653 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 6.6 t80 -83.92 -47.23 11.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.577 HD11 ' HG2' ' A' ' 64' ' ' MET . 82.0 mt -43.45 -42.92 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 66' ' ' GLU . 4.7 t -71.63 -44.53 64.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -126.26 73.75 72.63 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.653 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -75.02 -33.23 4.71 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.79 HM32 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.948 0 O-C-N 127.621 3.076 . . . . 0.0 116.606 -178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.99 -68.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.311 175.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.442 ' OH ' HG11 ' A' ' 57' ' ' VAL . 25.5 t80 -38.03 -49.72 1.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.417 ' CD1' ' HG3' ' A' ' 55' ' ' LYS . 21.9 mm -104.84 112.44 65.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 96.57 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.55 50.38 1.31 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.7 t -90.99 113.22 25.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 110.376 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -20.84 24.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.51 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 13.2 ttt -67.59 97.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.79 ' HA ' HM32 ' A' ' 72' ' ' M3L . . . -90.62 76.9 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -114.05 146.48 40.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.87 104.67 2.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.53 118.11 1.34 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 7.7 mt -66.25 -50.72 62.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER 51.5 31.36 7.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.499 ' N ' ' HE ' ' A' ' 91' ' ' ARG . 29.6 mmtt -127.45 86.02 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 2.4 mt-10 -38.41 -32.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -51.91 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.709 ' OD2' HD11 ' A' ' 9' ' ' LEU . 4.1 m-20 -67.91 -55.64 12.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.499 ' HE ' ' N ' ' A' ' 87' ' ' LYS . 30.4 mtm180 -38.97 -48.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 78.8 m-20 -60.08 -56.85 16.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' HB ' ' A' ' 96' ' ' THR . 85.4 m-20 -49.63 -55.2 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.514 HD21 ' CBB' ' A' ' 104' ' ' HEC . 9.1 tp -46.34 -67.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 65' ' ' SER . 20.2 mt -40.47 -52.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -44.08 -50.61 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.823 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 9.8 t80 -76.13 -46.99 26.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.607 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -43.45 -52.66 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -40.8 -48.72 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -78.11 -46.44 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.823 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -46.98 -49.57 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.4 p -81.77 -30.74 32.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 1.743 ' HAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -158.9 74.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' -2' ' ' LYS . 4.1 t80 -41.14 143.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -2' ' ' LYS . . . . . 0.531 ' O ' ' CE1' ' A' ' -3' ' ' PHE . 0.0 OUTLIER -112.32 168.68 9.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -67.23 160.78 26.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 96' ' ' THR . . . -123.43 100.8 0.67 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.535 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 1.9 t -39.27 -34.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 73.71 46.12 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.69 14.22 11.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' NZ ' ' OD2' ' A' ' 93' ' ' ASP . 9.3 pttp -177.2 43.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.23 -51.64 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.18 -63.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.58 -22.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.068 HD22 HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -67.23 -77.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.85 ' CD2' HD13 ' A' ' 15' ' ' LEU . 10.8 t80 -41.22 -37.0 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -51.75 -38.8 56.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -126.79 128.26 46.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.591 ' CB ' ' O ' ' A' ' 12' ' ' THR . 2.5 mmt180 91.2 16.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 84.1 m -157.54 -74.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.85 HD13 ' CD2' ' A' ' 10' ' ' PHE . 1.2 tp -44.43 -42.11 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -38.86 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.468 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 86.0 m -110.92 -57.17 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 126.8 3.191 . . . . 0.0 108.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.485 ' CD2' HD11 ' A' ' 32' ' ' LEU . 97.8 m-70 -103.9 176.19 5.23 Favored 'General case' 0 C--N 1.381 1.938 0 O-C-N 118.179 -2.826 . . . . 0.0 115.077 -163.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.695 HG23 ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -144.19 122.98 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.419 -179.393 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.839 HG21 ' HB1' ' A' ' 101' ' ' ALA . 8.7 p -78.61 -38.45 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.2 mt-10 -42.86 165.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 52.0 tttt -72.4 -76.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.12 58.61 0.57 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.52 124.22 8.17 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.63 15.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 46' ' ' TYR . 43.9 m-70 -63.06 124.45 21.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -110.0 -102.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.475 ' O ' HMD3 ' A' ' 104' ' ' HEC . 78.3 t -81.6 -24.64 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.17 174.78 25.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.97 154.04 42.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.695 ' OD1' HG23 ' A' ' 19' ' ' THR . 0.8 OUTLIER -53.63 153.63 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CD1' ' CHB' ' A' ' 104' ' ' HEC . 74.9 mt -121.49 46.55 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -60.08 -128.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.39 58.34 4.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -68.8 -37.27 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.584 0.814 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 13.7 m-85 -60.82 76.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 149.0 -17.93 1.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -94.88 -177.02 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -112.25 155.66 23.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.601 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.674 ' HB3' HG12 ' A' ' 57' ' ' VAL . 94.2 p -38.87 126.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 79.67 108.5 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -136.44 10.1 3.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' A' ' 48' ' ' TYR . . . -100.03 142.02 32.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.61 -72.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.98 -35.5 32.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.469 1.105 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 2.5 t80 -78.98 129.65 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 p -72.23 -26.05 61.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.2 OUTLIER 64.9 -170.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.49 ' CG2' ' O2D' ' A' ' 104' ' ' HEC . 79.3 p -98.78 149.3 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.46 14.76 12.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -108.15 -40.81 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -79.08 -51.28 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.542 HD11 ' CB ' ' A' ' 48' ' ' TYR . 70.6 mt -52.98 -39.99 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.242 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -86.56 46.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -137.76 -46.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.599 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 76.8 32.39 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.674 HG12 ' HB3' ' A' ' 40' ' ' SER . 3.4 p -71.22 91.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.568 HD12 ' CG ' ' A' ' 39' ' ' HIS . 4.9 tp -67.38 96.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.419 ' CZ2' HAA1 ' A' ' 104' ' ' HEC . 22.3 m95 -59.1 145.19 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 1.3 t0 -145.98 -61.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HG2' HG23 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -178.73 -77.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -61.04 -37.7 83.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' MET . 11.6 t-20 -53.29 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.633 ' HE1' HMA1 ' A' ' 104' ' ' HEC . 2.3 ttm -36.67 -50.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.798 ' OG ' HD11 ' A' ' 95' ' ' ILE . 14.4 t -42.07 -50.19 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 69' ' ' THR . 15.7 tt0 -57.57 -41.12 80.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.599 ' CD1' HD12 ' A' ' 75' ' ' ILE . 3.3 t80 -75.34 -26.85 58.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.561 HD11 ' SD ' ' A' ' 64' ' ' MET . 94.5 mt -65.45 -46.69 78.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 66' ' ' GLU . 3.4 t -68.08 -43.14 79.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -129.43 71.29 82.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.02 -29.35 8.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.806 HM32 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.955 0 O-C-N 127.653 3.095 . . . . 0.0 116.59 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -89.57 -66.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.308 175.031 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CD2' HG13 ' A' ' 75' ' ' ILE . 87.7 t80 -37.49 -52.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 67' ' ' TYR . 9.6 mt -111.28 107.41 57.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 85.07 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 130.9 42.14 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.1 t -98.87 113.54 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -62.02 -14.4 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.526 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 13.4 ttt -59.98 94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.806 ' HA ' HM32 ' A' ' 72' ' ' M3L . . . -85.11 64.46 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -105.43 144.74 31.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.31 104.01 1.99 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 69' ' ' THR . . . -42.72 113.07 0.56 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.58 -171.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -162.72 -51.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -54.23 90.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -44.32 -27.15 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -69.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.538 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.3 m-20 -57.86 -49.27 77.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.734 ' O ' HD12 ' A' ' 95' ' ' ILE . 61.5 mtp180 -44.19 -41.29 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' -2' ' ' LYS . 78.4 m-20 -72.99 -63.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.449 ' OD2' ' NZ ' ' A' ' 5' ' ' LYS . 68.8 m-20 -42.1 -48.55 4.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.068 HD13 HD22 ' A' ' 9' ' ' LEU . 9.5 tp -56.71 -69.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.798 HD11 ' OG ' ' A' ' 65' ' ' SER . 18.4 mt -39.71 -50.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.459 ' CB ' ' HA3' ' A' ' 1' ' ' GLY . 0.7 OUTLIER -45.2 -49.84 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 10.8 t80 -76.95 -47.64 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -54.39 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 103' ' ' GLU . 7.5 tmtt? -47.53 -43.99 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -71.35 -50.1 35.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.839 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -52.73 -54.33 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 t -73.5 -26.75 61.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' LYS . 18.7 pt-20 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.633 HMA1 ' HE1' ' A' ' 64' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -5' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' -4' ' ' GLU . 4.6 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' -3' ' ' PHE . 9.9 mm-40 61.01 74.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' -4' ' ' GLU . 2.3 t80 58.53 120.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 131.0 35.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.39 155.09 24.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -109.39 -26.14 5.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 86.09 -72.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 110.008 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . -179.98 -169.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.29 50.28 16.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -176.06 -39.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.82 -34.17 7.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.75 -61.61 2.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -23.03 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.964 HD22 HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -70.55 -79.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 67.5 t80 -38.76 -44.54 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -39.6 -35.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.6 p -128.71 150.47 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.641 ' O ' HMC3 ' A' ' 104' ' ' HEC . 9.0 mmt-85 75.54 9.07 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.66 -65.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.8 mp -43.8 -38.19 3.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.478 ' OE1' HMC1 ' A' ' 104' ' ' HEC . 5.7 pt20 -45.99 -25.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.467 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 84.1 m -120.01 -60.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 126.829 3.204 . . . . 0.0 108.305 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.508 ' CD2' HD11 ' A' ' 32' ' ' LEU . 97.7 m-70 -100.2 153.06 19.57 Favored 'General case' 0 C--N 1.381 1.937 0 O-C-N 118.121 -2.862 . . . . 0.0 115.129 -163.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.448 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 19.0 p -123.72 93.56 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 111.116 -2.766 . . . . 0.0 110.357 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.682 HG23 ' HB1' ' A' ' 101' ' ' ALA . 7.7 p -53.77 -35.82 28.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -39.14 159.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 7.4 ttmm -65.84 -76.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.63 55.06 2.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.53 121.74 6.35 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 108.07 2.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 35.2 m-70 -39.24 132.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -116.69 -101.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 53.7 t -78.4 -26.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.67 -178.79 18.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 166.86 28.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -68.24 156.0 38.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD11 ' CD2' ' A' ' 18' ' ' HIS . 59.9 mt -127.64 48.67 2.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 102' ' ' SER . 0.9 OUTLIER -60.67 -126.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.582 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' CA ' ' HB3' ' A' ' 102' ' ' SER . . . -82.45 56.48 5.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -59.08 -158.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.626 ' CE1' ' HE2' ' A' ' 64' ' ' MET . 25.6 m-85 56.98 116.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.1 22.72 5.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 16.4 mmt85 -148.39 -174.92 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' NE2' HD13 ' A' ' 58' ' ' LEU . 2.4 m170 -102.16 152.12 21.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.584 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.651 ' HB3' HG12 ' A' ' 57' ' ' VAL . 4.6 p -38.77 117.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.576 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 106.78 94.25 2.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 65.0 mt-30 -114.77 33.09 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.582 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -150.55 126.49 10.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.06 -55.76 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.64 -41.26 34.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 20.4 t80 -83.52 122.81 29.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 0.794 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.8 p -63.94 141.24 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.582 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 2.1 m-85 -116.32 -176.02 2.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -98.74 176.52 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.53 21.73 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.53 -55.41 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' LYS . 51.9 t30 -60.69 -68.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -40.47 -38.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -86.99 46.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -133.63 -46.75 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.4 23.93 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.651 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.6 p -63.85 91.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.468 HD13 ' NE2' ' A' ' 39' ' ' HIS . 4.2 tp -67.49 93.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 41.5 m95 -54.03 115.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 107.957 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.28 -64.21 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.525 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 25.0 tt0 -178.44 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 65' ' ' SER . 1.3 m-80 -98.27 -60.36 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 64' ' ' MET . 6.7 p-10 -39.78 -33.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.626 ' HE2' ' CE1' ' A' ' 36' ' ' PHE . 4.0 tpp -73.72 -49.36 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.727 ' HB2' HD11 ' A' ' 95' ' ' ILE . 60.2 p -55.17 -42.8 73.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 69' ' ' THR . 0.0 OUTLIER -59.98 -31.8 70.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.658 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 2.6 t80 -81.67 -48.96 11.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' TYR . 73.6 mt -40.51 -42.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 66' ' ' GLU . 6.1 t -74.98 -40.4 60.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' TYR . 12.0 t-20 -128.14 72.68 79.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.658 ' HA ' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -29.33 8.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.961 0 O-C-N 127.662 3.101 . . . . 0.0 116.591 -178.106 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -87.66 -66.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.297 175.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -42.07 -53.4 3.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.484 HD12 ' CE2' ' A' ' 67' ' ' TYR . 67.9 mt -109.83 100.36 42.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 107.36 2.47 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 35.88 2.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.43 1.081 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.457 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.2 t -95.62 115.43 27.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -18.93 16.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.515 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 20.9 ttt -57.3 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.684 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -84.93 71.78 10.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 4.2 t80 -109.54 -55.65 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' THR . . . 103.14 -54.31 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 111.97 152.66 11.98 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.3 mt -71.14 -108.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 4.5 mtmt 164.79 -48.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -75.03 100.18 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 91' ' ' ARG . 2.7 mt-10 -53.89 -28.33 35.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -47.15 -61.06 2.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' HB3' HD11 ' A' ' 9' ' ' LEU . 4.6 m-20 -61.32 -40.84 95.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 88' ' ' GLU . 8.8 mtm180 -56.52 -41.21 76.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.48 -44.74 89.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 96' ' ' THR . 52.0 m-20 -61.71 -52.05 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.964 HD12 HD22 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -60.41 -57.57 12.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.727 HD11 ' HB2' ' A' ' 65' ' ' SER . 42.1 mt -39.63 -37.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -61.73 -50.25 73.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 110.388 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 94' ' ' LEU . 20.3 t80 -77.59 -36.69 51.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.656 HD23 HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -65.94 -31.7 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.486 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 21.8 tttm -34.41 -37.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.644 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -126.0 -60.53 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.682 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . 80.61 -14.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 16.6 p -85.57 -43.65 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 110.03 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.684 HBC2 ' O ' ' A' ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' -3' ' ' PHE . 2.3 pm0 -117.7 -37.05 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 1.015 ' CE2' ' HB2' ' A' ' -1' ' ' ALA . 1.3 t80 57.58 118.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -2' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' -1' ' ' ALA . 2.8 mmtt -90.55 34.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 1.015 ' HB2' ' CE2' ' A' ' -3' ' ' PHE . . . -37.12 154.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . 96.84 124.17 4.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER 157.69 93.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 0.0 110.062 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.35 63.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 2' ' ' SER . 24.3 tttt -103.93 -136.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 56.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.15 -46.84 2.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 97' ' ' TYR . . . -63.46 -61.08 2.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -21.4 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.655 HD13 HD23 ' A' ' 94' ' ' LEU . 2.6 tt -65.16 -77.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CD2' HD13 ' A' ' 15' ' ' LEU . 17.1 t80 -45.57 -34.02 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.63 -43.59 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.606 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -125.28 128.19 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.606 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.1 OUTLIER 92.92 16.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.428 ' SG ' ' CAB' ' A' ' 104' ' ' HEC . 63.2 m -155.82 -71.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' A' ' 10' ' ' PHE . 1.4 tp -45.19 -39.08 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -41.88 -27.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.495 ' SG ' HG11 ' A' ' 28' ' ' VAL . 73.0 m -110.54 -58.61 2.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 126.83 3.205 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -102.9 160.76 14.32 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 118.165 -2.834 . . . . 0.0 115.077 -163.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 p -123.33 115.13 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 111.071 -2.786 . . . . 0.0 110.423 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.819 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.7 p -65.52 -32.35 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.76 -179.79 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 7.0 tttt -101.08 -51.82 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.91 60.42 3.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.23 127.88 5.44 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.3 9.22 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.518 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 33.2 m-70 -45.37 133.98 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -114.15 -102.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.626 ' O ' HMD3 ' A' ' 104' ' ' HEC . 55.6 t -81.07 -24.67 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.14 178.7 20.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 165.39 31.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -81.19 119.62 23.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' HB3' HD12 ' A' ' 35' ' ' ILE . 80.0 mt -69.51 -66.27 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.52 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.9 OUTLIER 73.09 -129.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.559 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' A' ' 33' ' ' HIS . . . -98.55 61.62 0.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.494 HG13 ' HE1' ' A' ' 64' ' ' MET . 0.1 OUTLIER -62.55 -139.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 61' ' ' GLU . 20.3 m-85 49.59 100.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 120.45 -26.23 7.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.432 1.082 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 9.2 mmt180 -93.37 170.82 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.514 ' CE1' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -94.31 151.47 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.634 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' HIS . 93.1 p -37.55 134.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 82.93 95.86 0.55 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 77.2 mt-30 -119.44 29.25 7.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -130.11 127.92 40.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -110.33 100.98 9.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 136.9 -51.69 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.518 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 11.3 t80 -65.23 124.19 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.47 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 11.8 p -55.71 130.66 44.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CE2' ' O1A' ' A' ' 104' ' ' HEC . 0.8 OUTLIER -109.27 -179.28 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -100.87 167.68 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.19 22.52 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -112.84 -56.06 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 53' ' ' ILE . 4.9 t-20 -60.75 -77.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 48' ' ' TYR . 14.4 mt -39.46 -33.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -85.57 45.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -145.92 -47.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 54.85 89.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.714 HG11 ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -128.87 102.43 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.6 tp -63.1 78.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.602 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 60.1 m95 -32.29 133.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.19 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.48 ' O ' HG21 ' A' ' 95' ' ' ILE . 29.0 tt0 175.65 -34.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -96.04 -59.11 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.594 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 25.8 p-10 -45.76 -47.78 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.602 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 16.8 tpp -45.03 -35.76 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.513 ' CB ' HD11 ' A' ' 95' ' ' ILE . 14.5 p -68.95 -49.79 54.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.587 ' O ' HG22 ' A' ' 69' ' ' THR . 2.0 tt0 -36.95 -43.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.714 ' OH ' HG11 ' A' ' 57' ' ' VAL . 8.7 m-85 -79.41 -52.04 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.523 HD21 HMB2 ' A' ' 104' ' ' HEC . 56.5 mt -42.15 -29.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 66' ' ' GLU . 7.6 t -91.42 -37.87 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' TYR . 9.1 t-20 -131.84 67.52 79.63 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.95 -29.92 7.8 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.625 HM11 ' CB ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.934 0 O-C-N 127.671 3.107 . . . . 0.0 116.623 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -116.83 -55.91 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.004 -1.453 . . . . 0.0 109.295 175.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -62.73 -42.95 99.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.433 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 54.5 mt -99.95 108.78 53.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.1 Cg_endo -75.02 108.56 2.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.793 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.9 55.77 3.48 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 78' ' ' THR . 14.2 t -94.5 107.56 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -40.14 -30.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.486 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 19.0 ttt -60.05 88.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.625 ' CB ' HM11 ' A' ' 72' ' ' M3L . . . -88.86 67.1 8.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.481 ' HD1' HMC2 ' A' ' 104' ' ' HEC . 22.1 t80 -97.08 143.49 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -47.95 -78.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 136.7 108.45 0.9 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.61 ' CD1' HD21 ' A' ' 9' ' ' LEU . 6.5 mt -86.2 130.94 34.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 50.73 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' LYS . 26.9 mmtt -132.63 85.54 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -38.79 -29.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -54.2 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' ASP . 5.4 m-20 -63.15 -53.07 59.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.477 ' O ' HD12 ' A' ' 95' ' ' ILE . 56.6 mtp180 -41.0 -44.02 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.13 -45.12 94.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 96' ' ' THR . 1.0 OUTLIER -68.01 -53.54 25.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.78 ' CD1' HD12 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -40.51 -73.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.513 HD11 ' CB ' ' A' ' 65' ' ' SER . 11.2 mt -39.38 -31.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -78.23 -50.11 12.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.415 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 7' ' ' ALA . 90.9 t80 -63.53 -40.5 97.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.78 HD12 ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -63.97 -50.62 67.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -32.88 3.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 103' ' ' GLU . 12.0 tptp -82.91 -61.72 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.819 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -45.66 -57.13 4.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 33' ' ' HIS . 1.2 m -49.2 -26.7 3.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 100' ' ' LYS . 16.5 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 1.428 ' CAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -163.02 71.71 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.59 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 2.3 t80 -176.88 96.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 124.46 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.15 155.75 27.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -113.46 -130.32 5.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -172.44 -75.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.97 35.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -146.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 58.09 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.94 -51.49 1.77 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.436 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -52.28 -62.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.5 -21.47 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.1 HD22 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -70.75 -76.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.674 ' CD2' ' CD1' ' A' ' 15' ' ' LEU . 35.3 t80 -47.49 -22.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -75.45 -38.24 59.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -118.54 125.07 49.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 110.36 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER 84.76 22.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 97.5 m -157.77 -71.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.674 ' CD1' ' CD2' ' A' ' 10' ' ' PHE . 1.3 mp -45.57 -36.56 4.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -46.9 -24.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.468 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 75.7 m -112.07 -58.24 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 126.865 3.222 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -105.43 158.29 16.75 Favored 'General case' 0 C--N 1.382 1.981 0 O-C-N 118.121 -2.862 . . . . 0.0 115.081 -163.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.548 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 12.1 p -131.27 124.19 29.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 111.074 -2.785 . . . . 0.0 110.38 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.0 -39.87 58.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -45.2 168.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 33' ' ' HIS . 1.9 ttmt -86.97 -57.08 3.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.1 59.76 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.81 124.18 5.94 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.8 19.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.59 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 31.6 m-70 -57.42 139.31 53.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.534 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -129.98 -94.69 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.977 ' O ' HMD3 ' A' ' 104' ' ' HEC . 99.6 t -95.6 -30.91 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.67 157.11 22.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' HD3' ' CBD' ' A' ' 104' ' ' HEC . 18.4 Cg_endo -75.04 133.57 16.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.548 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 0.8 OUTLIER -47.28 121.11 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' HB3' HG21 ' A' ' 35' ' ' ILE . 13.9 mt -79.53 -66.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.418 ' NE2' ' HE3' ' A' ' 22' ' ' LYS . 1.3 t-80 74.74 -136.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -87.73 59.31 4.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.32 -146.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CD2' HG12 ' A' ' 35' ' ' ILE . 51.2 m-85 56.98 114.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.041 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.63 -32.74 5.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 58' ' ' LEU . 9.3 mmt180 -90.5 170.75 9.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.458 ' CE1' HD13 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.94 152.59 18.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.413 ' HB3' HG23 ' A' ' 57' ' ' VAL . 95.6 p -38.15 137.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.554 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 82.88 91.67 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -116.37 27.32 9.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.16 130.55 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -96.19 -42.61 8.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.65 -46.78 24.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.59 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -71.93 130.46 41.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 0.788 . . . . 0.0 111.027 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -75.29 113.57 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.607 ' CE2' ' O2A' ' A' ' 104' ' ' HEC . 4.6 m-85 -91.28 176.13 6.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.5 p -107.46 -170.0 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.03 22.91 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.38 -51.24 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 53' ' ' ILE . 6.0 t-20 -63.65 -79.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.431 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 29.9 mt -39.57 -33.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 52' ' ' ASN . 12.3 mmtp -86.03 46.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -140.35 -51.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 55.47 84.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.489 HG11 ' OH ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -128.63 102.76 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.508 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.6 tp -62.56 79.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 58.9 m95 -34.31 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -141.88 -68.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE2' ' CD2' ' A' ' -3' ' ' PHE . 0.5 OUTLIER -177.09 -57.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.17 -46.33 20.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -44.64 -55.96 4.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.579 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 16.8 tpp -51.91 -49.44 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.744 ' HB2' HD11 ' A' ' 95' ' ' ILE . 9.7 p -43.89 -43.13 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.63 -52.95 62.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 1.175 ' CE1' HD12 ' A' ' 75' ' ' ILE . 7.0 t80 -53.16 -55.73 21.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.3 mt -52.38 -37.72 57.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -50.37 74.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -141.11 76.85 21.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.0 -29.42 8.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.547 HM13 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.479 0.979 0 O-C-N 127.683 3.115 . . . . 0.0 116.536 -178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.66 -65.03 1.0 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.298 175.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.489 ' OH ' HG11 ' A' ' 57' ' ' VAL . 17.5 t80 -37.58 -50.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 1.175 HD12 ' CE1' ' A' ' 67' ' ' TYR . 62.5 mt -114.75 91.85 27.36 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.72 2.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.0 42.44 1.53 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.533 ' HB ' HG22 ' A' ' 75' ' ' ILE . 7.4 t -110.71 114.97 28.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -48.57 -24.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.526 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 20.8 ttt -58.07 89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.547 ' HA ' HM13 ' A' ' 72' ' ' M3L . . . -92.7 65.92 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -87.44 -58.45 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 126.66 -70.28 0.5 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.98 125.07 4.51 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.14 173.78 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -143.54 45.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.9 mmmp? -132.84 92.05 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' N ' ' HE ' ' A' ' 91' ' ' ARG . 5.8 mt-10 -38.04 -34.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -50.21 -69.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.405 ' CG ' HD11 ' A' ' 9' ' ' LEU . 4.9 m-20 -65.43 -56.3 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.779 ' O ' HD12 ' A' ' 95' ' ' ILE . 55.8 mtm180 -38.83 -47.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -68.55 -54.13 18.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -48.96 -49.79 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.1 HD13 HD22 ' A' ' 9' ' ' LEU . 6.6 tp -46.57 -71.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 91' ' ' ARG . 4.0 mt -39.59 -44.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.86 -51.1 70.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 56.1 t80 -70.03 -46.06 65.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -47.96 -50.65 26.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -63.76 -26.56 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' TYR . 6.8 ttpp -77.11 -63.06 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.89 82.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 50.0 m -66.26 -28.74 68.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.977 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -5' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' -5' ' ' THR . 3.3 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -177.7 82.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.589 ' CG ' ' N ' ' A' ' -2' ' ' LYS . 9.6 t80 -52.04 169.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -2' ' ' LYS . . . . . 0.589 ' N ' ' CG ' ' A' ' -3' ' ' PHE . 31.3 ttmt -161.4 136.91 7.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -40.12 154.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -128.62 -142.27 5.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 91.39 6.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.56 44.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.15 6.72 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -161.18 -103.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.571 ' O ' ' CD2' ' A' ' 97' ' ' TYR . . . 113.15 30.15 2.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -159.73 -46.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.42 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.011 HD22 HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -89.0 -73.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.447 ' C ' ' N ' ' A' ' 12' ' ' THR . 55.5 t80 -38.87 -43.64 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -39.48 -30.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 10' ' ' PHE . 67.7 p -133.78 154.32 51.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 75.51 9.15 3.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.1 -62.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 108.326 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.91 -39.04 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -45.55 -25.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.465 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 81.4 m -118.08 -61.38 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 126.881 3.229 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -101.16 159.81 14.93 Favored 'General case' 0 C--N 1.381 1.964 0 O-C-N 118.129 -2.857 . . . . 0.0 115.103 -163.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 p -128.99 112.78 14.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 111.093 -2.776 . . . . 0.0 110.413 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.003 HG21 ' HB1' ' A' ' 101' ' ' ALA . 8.3 p -64.93 -22.2 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.7 OUTLIER -52.56 176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -98.18 -59.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 60.58 1.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.16 123.68 7.53 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.02 -9.02 20.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.437 1.756 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 12.5 m80 85.21 134.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -114.62 -100.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.477 ' O ' HMD3 ' A' ' 104' ' ' HEC . 71.8 t -85.32 -24.04 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.09 171.6 23.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.484 ' CG ' ' O2A' ' A' ' 104' ' ' HEC . 18.3 Cg_endo -74.99 164.41 33.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.5 m120 -80.52 118.85 22.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' GLY . 25.7 mt -61.19 -39.51 90.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 102' ' ' SER . 6.8 t60 -39.21 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.557 ' O ' ' NE2' ' A' ' 42' ' ' GLN . . . 135.92 -27.36 3.05 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 36' ' ' PHE . 2.8 pp -60.08 -165.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 35' ' ' ILE . 4.1 m-30 57.25 81.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 150.47 -73.87 0.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -69.35 -162.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 2.5 m-70 -107.28 172.57 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.601 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.436 ' HB3' HG23 ' A' ' 57' ' ' VAL . 63.1 p -40.53 137.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 81.64 90.66 0.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.557 ' NE2' ' O ' ' A' ' 34' ' ' GLY . 3.0 mt-30 -121.37 28.13 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -113.84 139.14 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.13 45.81 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.28 41.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 11.4 t80 -165.83 127.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.556 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 85.3 p -61.44 135.6 57.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 1.1 m-85 -110.27 177.58 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -85.83 172.12 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.28 18.66 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.19 -43.33 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 12.1 t-20 -63.18 -78.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' ASN . 27.7 mt -38.82 -32.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 52' ' ' ASN . 59.2 mmtt -86.52 44.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' ASN . 14.5 tppt? -138.27 -56.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 73.69 83.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.492 ' CG1' ' OH ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -124.23 104.74 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.61 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 1.4 tp -61.65 80.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.492 ' C ' ' O ' ' A' ' 58' ' ' LEU . 56.6 m95 -35.64 111.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -117.84 -77.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 25.9 tt0 -175.51 -38.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.709 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -87.62 -48.06 8.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.447 ' CG ' ' N ' ' A' ' 64' ' ' MET . 7.5 p-10 -51.98 -42.86 63.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.574 ' HE2' HMA1 ' A' ' 104' ' ' HEC . 30.2 ttm -52.87 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 23.2 t -41.82 -38.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.18 -44.69 83.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.828 ' CE1' HD12 ' A' ' 75' ' ' ILE . 7.6 t80 -79.27 -31.27 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 64' ' ' MET . 64.2 mt -64.04 -50.13 69.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.48 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 10.2 t -66.85 -45.54 77.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -126.11 73.56 71.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.503 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -75.08 -32.4 5.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.783 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.497 HM23 ' HD3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.478 0.946 0 O-C-N 127.683 3.114 . . . . 0.0 116.555 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -92.63 -69.4 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.284 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.492 ' OH ' ' CG1' ' A' ' 57' ' ' VAL . 1.6 t80 -38.68 -48.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.828 HD12 ' CE1' ' A' ' 67' ' ' TYR . 96.3 mt -113.83 107.05 53.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.33 2.46 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.39 31.45 6.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.494 ' OG1' ' CGD' ' A' ' 104' ' ' HEC . 2.7 t -77.21 110.7 12.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HG2' HMD2 ' A' ' 104' ' ' HEC . 7.0 tttt -47.73 -28.22 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.459 ' HG3' ' C4C' ' A' ' 104' ' ' HEC . 17.7 ttt -60.63 87.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' HA ' ' CM1' ' A' ' 72' ' ' M3L . . . -87.16 74.25 9.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.369 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 6.4 t80 -105.64 136.64 44.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -51.56 -58.21 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.546 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 129.9 127.15 2.89 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 91' ' ' ARG . 45.9 mt -60.84 -65.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 85.7 -65.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.2 mmpt? -59.0 95.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.1 pt-20 -34.01 -59.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 3.0 mtmt -40.45 -60.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.366 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.771 ' CG ' HD11 ' A' ' 9' ' ' LEU . 1.6 m-20 -48.06 -39.28 19.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.52 ' HA ' HD13 ' A' ' 85' ' ' LEU . 13.3 mtm180 -70.75 -39.23 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.36 -61.06 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.0 -49.49 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.011 HD23 HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -55.25 -66.91 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 61' ' ' GLU . 35.2 mt -49.05 -57.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -37.94 -54.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.382 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 44.8 t80 -72.87 -44.42 61.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.925 HD12 ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -49.8 -44.18 48.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -53.85 -20.05 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -111.94 -20.63 11.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.003 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -65.08 -59.18 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.934 ' OG ' HG22 ' A' ' 20' ' ' VAL . 1.2 m -168.46 49.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' SER . 7.3 pt-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.635 HBD2 ' HHA' ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -5' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' -4' ' ' GLU . 38.5 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -4' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' -5' ' ' THR . 0.2 OUTLIER 86.15 -12.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.449 ' CG ' ' OE2' ' A' ' 61' ' ' GLU . 20.9 t80 56.47 107.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.91 19.87 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 58.44 159.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -124.76 -40.36 0.42 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.21 146.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.996 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.84 62.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -130.11 10.14 5.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 6.4 tttt -177.13 41.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.11 -58.13 0.36 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.29 -67.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.05 -30.41 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.956 HD22 ' HG ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -68.3 -75.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 68.0 t80 -43.63 -24.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.597 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -73.1 -45.37 57.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -112.59 127.4 56.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.362 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 82.79 23.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 65.1 m -159.23 -68.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 108.249 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.6 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 tp -44.95 -35.03 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -46.08 -25.62 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.562 ' SG ' HG11 ' A' ' 28' ' ' VAL . 99.6 m -114.87 -59.46 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 126.883 3.23 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -103.03 158.09 16.53 Favored 'General case' 0 C--N 1.382 1.98 0 O-C-N 118.138 -2.851 . . . . 0.0 115.09 -163.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.797 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -124.45 127.6 47.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 111.104 -2.771 . . . . 0.0 110.412 -179.386 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.797 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.1 p -81.8 -28.92 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -48.15 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.4 ttmm -96.93 -64.76 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.89 57.61 3.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.63 134.02 10.36 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.19 13.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.467 1.772 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 32.2 m-70 -90.52 147.22 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.639 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -135.6 -93.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.897 ' O ' HMD3 ' A' ' 104' ' ' HEC . 65.1 t -98.35 -28.9 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.2 153.23 21.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD3' ' CBD' ' A' ' 104' ' ' HEC . 18.2 Cg_endo -75.0 141.46 26.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.797 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.9 OUTLIER -49.71 137.01 16.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -103.0 19.73 18.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 16.1 t60 -82.89 61.0 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.64 48.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.6 pp -117.32 -162.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.696 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.3 m-85 58.11 110.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.87 2.0 55.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.48 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 5.8 mmt85 -118.93 -170.52 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.726 ' CE1' HD13 ' A' ' 58' ' ' LEU . 1.8 m-70 -116.39 148.67 40.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.548 ' HB3' HG12 ' A' ' 57' ' ' VAL . 95.2 p -34.58 129.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.954 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.568 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 92.07 98.56 1.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.48 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 74.8 mt-30 -139.2 26.16 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.528 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -113.39 131.79 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.8 70.97 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.69 -37.09 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.584 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.1 t80 -69.97 129.79 40.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.7 p -75.05 119.95 19.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.588 ' CE2' ' O1A' ' A' ' 104' ' ' HEC . 4.9 m-85 -100.41 179.06 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.0 p -113.59 178.99 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.498 ' OD1' ' CE ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -92.43 24.15 3.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.73 ' HB1' ' CG2' ' A' ' 75' ' ' ILE . . . -106.44 -64.45 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 55' ' ' LYS . 54.1 t30 -62.41 -67.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 48' ' ' TYR . 15.3 mt -42.73 -39.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.498 ' CE ' ' OD1' ' A' ' 50' ' ' ASP . 34.1 mmtt -87.76 45.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -139.82 -55.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.499 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.7 OUTLIER 76.83 35.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 57' ' ' VAL . 8.7 p -68.33 95.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.726 HD13 ' CE1' ' A' ' 39' ' ' HIS . 3.8 tp -64.57 99.43 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CH2' HG11 ' A' ' 57' ' ' VAL . 40.9 m95 -61.19 130.11 44.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 108.032 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.599 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 12.0 t70 -144.36 -65.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.874 ' HG3' HG21 ' A' ' 95' ' ' ILE . 28.7 tt0 -171.31 -75.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -65.22 -43.99 89.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.522 HD21 HG22 ' A' ' 57' ' ' VAL . 16.7 t30 -57.09 -55.02 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.588 ' HE2' ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -56.01 -52.65 63.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.752 ' HB3' HD11 ' A' ' 95' ' ' ILE . 79.2 p -54.71 -43.62 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -52.82 -32.16 42.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.68 ' CE1' HD12 ' A' ' 75' ' ' ILE . 8.4 t80 -87.34 -51.27 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -41.85 -44.21 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 70' ' ' ASN . 5.0 t -66.73 -49.41 66.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 69' ' ' THR . 12.8 t-20 -126.32 74.47 73.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.557 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.03 -29.61 8.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.535 HM21 ' HB1' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.961 0 O-C-N 127.706 3.128 . . . . 0.0 116.591 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -64.19 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.05 -1.432 . . . . 0.0 109.307 175.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -40.75 -55.15 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.73 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 64.7 mt -109.67 100.33 41.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.88 3.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.9 44.12 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 78' ' ' THR . 11.1 t -106.69 110.45 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 0.771 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -29.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.522 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.9 ttt -57.58 90.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.549 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -93.76 83.32 4.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 11.6 t80 -115.38 138.12 51.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.68 -64.04 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 119.64 111.38 2.36 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.74 104.06 10.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -92.04 37.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -132.86 85.04 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -39.03 -36.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.45 -43.4 83.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 95' ' ' ILE . 6.4 mtt180 -53.54 -41.02 65.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -63.11 -52.5 62.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -48.53 -56.99 6.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.956 ' HG ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -52.1 -68.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.874 HG21 ' HG3' ' A' ' 61' ' ' GLU . 18.5 mt -39.64 -54.55 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -40.3 -51.1 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 101' ' ' ALA . 19.5 t80 -79.7 -48.36 13.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.646 HD23 HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -42.98 -53.87 4.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' GLU . 19.9 tptp -40.35 -47.4 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLU . 9.2 ttmm -79.11 -50.63 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.797 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -40.25 -48.94 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m -82.95 -28.91 29.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 7.9 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.897 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' -3' ' ' PHE . 1.2 pm0 -38.97 -33.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -3' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' -2' ' ' LYS . 0.0 OUTLIER -174.1 141.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' -2' ' ' LYS . . . . . 0.466 ' O ' ' CE2' ' A' ' -3' ' ' PHE . 2.9 ttmt -84.16 140.96 31.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -115.94 154.25 30.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' HA2' HG21 ' A' ' 96' ' ' THR . . . 66.99 131.33 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.443 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 11.3 t 170.39 41.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.82 175.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.01 40.64 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 2' ' ' SER . 1.3 ptpm? 173.21 -33.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.08 -24.55 40.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.8 -60.87 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.38 -23.36 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.914 HD11 HD22 ' A' ' 85' ' ' LEU . 5.4 tt -63.65 -76.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 61.6 t80 -46.53 -33.08 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.04 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -116.14 60.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 19.1 mmt180 -145.78 -46.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' HMC3 ' A' ' 104' ' ' HEC . 0.0 OUTLIER -114.2 -39.91 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.303 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.548 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 3.0 tp -42.66 -38.14 1.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -44.56 -29.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 m -109.35 -56.8 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 126.839 3.209 . . . . 0.0 108.279 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 30' ' ' PRO . 95.9 m-70 -103.26 157.72 16.81 Favored 'General case' 0 C--N 1.381 1.967 0 O-C-N 118.176 -2.828 . . . . 0.0 115.069 -163.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.454 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.8 p -128.88 108.57 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.123 -2.762 . . . . 0.0 110.407 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.478 HG21 ' HB1' ' A' ' 101' ' ' ALA . 12.5 p -56.36 -32.84 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 4.0 mt-10 -70.09 161.45 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.544 ' CE ' ' ND1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -90.54 -161.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.84 31.79 5.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.54 129.7 8.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.16 13.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.794 ' NE2' ' HB1' ' A' ' 43' ' ' ALA . 26.4 m80 -51.1 111.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -93.98 -106.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.901 ' O ' HMD3 ' A' ' 104' ' ' HEC . 93.0 t -78.22 -32.88 17.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.41 168.2 25.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.661 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 18.2 Cg_endo -75.01 156.55 42.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' THR . 4.9 t-20 -71.59 152.97 42.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.536 ' HB3' HD12 ' A' ' 35' ' ' ILE . 13.7 mt -115.76 40.1 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.544 ' ND1' ' CE ' ' A' ' 22' ' ' LYS . 6.1 t-80 -62.62 104.13 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 102' ' ' SER . . . 48.25 95.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -114.76 -149.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.675 ' CZ ' ' CE ' ' A' ' 64' ' ' MET . 55.0 m-85 56.47 114.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.99 1.86 48.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 3.8 mmt85 -116.63 -169.85 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.791 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.561 ' NE2' HD13 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -108.34 148.17 30.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.607 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.613 ' HB3' HG12 ' A' ' 57' ' ' VAL . 4.0 p -41.66 117.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.44 96.08 2.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.491 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 63.2 mt-30 -137.16 9.82 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.794 ' HB1' ' NE2' ' A' ' 26' ' ' HIS . . . -72.96 -8.11 54.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ALA . 3.4 tm-20 35.24 86.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.34 -46.5 0.63 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.497 ' CD1' ' CB ' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -87.84 133.37 33.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 0.0 110.97 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' TYR . 41.4 t -82.05 7.78 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' HB2' HD12 ' A' ' 53' ' ' ILE . 4.6 m-85 43.41 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.4 p -97.92 -174.46 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.99 26.3 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -116.52 -55.08 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 55' ' ' LYS . 9.2 t-20 -64.75 -82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.58 HD12 ' HB2' ' A' ' 48' ' ' TYR . 24.0 mt -38.1 -35.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' ASN . 11.4 mmtt -86.84 46.47 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -147.49 -52.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER 78.46 32.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.613 HG12 ' HB3' ' A' ' 40' ' ' SER . 3.2 p -60.48 83.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD13 ' NE2' ' A' ' 39' ' ' HIS . 6.0 tp -63.78 92.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 27.8 m95 -53.99 152.72 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -157.05 -63.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -167.12 -68.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -79.91 -41.26 26.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -44.75 -53.13 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.675 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 3.4 ttm -61.68 -38.8 89.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.58 ' OG ' HD11 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -55.58 -55.45 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -51.8 -31.22 26.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.467 ' CE2' HD23 ' A' ' 68' ' ' LEU . 6.7 t80 -82.72 -58.29 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.597 HD11 ' SD ' ' A' ' 64' ' ' MET . 59.3 mt -40.31 -44.98 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 66' ' ' GLU . 9.3 t -68.55 -44.6 74.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' TYR . 12.9 t-20 -127.64 73.62 78.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.97 -29.8 7.9 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' M3L . . . . . 0.412 HM13 ' HD3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.479 0.976 0 O-C-N 127.65 3.094 . . . . 0.0 116.641 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.03 -64.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 113.971 -1.468 . . . . 0.0 109.284 175.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -41.96 -53.44 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mm -98.82 109.62 54.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.98 103.05 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.86 54.2 2.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 78' ' ' THR . 5.2 t -101.57 111.09 23.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.59 -23.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.478 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 20.8 ttt -59.55 92.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.543 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -91.11 82.39 5.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -114.45 128.94 56.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.64 -60.48 4.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.42 134.38 4.03 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.914 HD22 HD11 ' A' ' 9' ' ' LEU . 21.8 mt -63.42 -64.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 83.5 -51.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLU . 8.1 mmtm -71.05 84.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -38.18 -36.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -69.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.466 ' HB3' HD12 ' A' ' 9' ' ' LEU . 2.4 m-20 -53.05 -50.26 64.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.572 ' O ' HD12 ' A' ' 95' ' ' ILE . 12.7 mtm105 -48.43 -42.24 31.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.416 ' HA ' ' CE2' ' A' ' -3' ' ' PHE . 40.5 m-20 -58.79 -27.69 65.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -85.21 -48.57 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.804 HD23 HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.98 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.58 HD11 ' OG ' ' A' ' 65' ' ' SER . 3.5 mt -41.33 -29.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -77.78 -47.65 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' LEU . 13.5 t80 -72.46 -47.6 47.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.572 HD12 HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -58.49 -53.48 57.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 3.6 tttt -51.05 -39.54 56.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -73.49 -61.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.478 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -46.89 -59.39 3.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.488 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 45.9 p -46.48 -25.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.901 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.597 ' CZ ' ' OE2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.548 0.213 . . . . 0.0 110.961 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER -89.26 15.7 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . 0.592 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . 54.51 170.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -120.39 -131.91 4.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' ALA . 3.1 t 175.23 61.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.14 38.12 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . 5.5 tttm -62.0 -141.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -86.27 62.19 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.76 -45.66 3.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.15 -58.04 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -14.74 16.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.929 HD22 ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -75.41 -77.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.508 ' CD1' HD13 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -35.74 -48.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' PHE . 5.1 tttm -37.53 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.6 p -95.68 52.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 28.8 mmt180 -150.12 -45.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -124.27 -43.27 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 10' ' ' PHE . 3.9 tp -45.57 -37.44 5.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -50.12 -22.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.6 m -118.04 -48.65 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 126.852 3.215 . . . . 0.0 108.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -112.31 176.2 5.12 Favored 'General case' 0 C--N 1.381 1.948 0 O-C-N 118.15 -2.844 . . . . 0.0 115.088 -163.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 73.1 p -147.95 108.2 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.391 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.31 -31.0 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -52.69 175.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD2' ' NE2' ' A' ' 33' ' ' HIS . 1.9 tttm -92.05 -53.67 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -47.69 -23.0 2.06 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -36.61 105.58 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -74.99 -7.16 18.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 35.8 m-70 87.31 136.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -123.44 -96.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.8 t -86.48 -23.75 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.92 168.74 24.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -74.98 166.32 29.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' HA3' ' A' ' 24' ' ' GLY . 3.0 t-20 -76.48 141.77 41.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 39.6 mt -94.88 -61.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.414 ' NE2' ' HD2' ' A' ' 22' ' ' LYS . 1.3 t-80 66.81 -147.05 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -79.4 60.05 4.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.0 -144.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.42 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 26.2 m-85 53.89 106.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 120.53 -29.48 5.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.596 ' O ' HD12 ' A' ' 58' ' ' LEU . 7.3 mmt85 -89.26 171.53 9.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.794 ' CD2' HD13 ' A' ' 58' ' ' LEU . 70.9 m80 -95.63 112.87 24.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.474 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 60.4 p 36.16 -153.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.948 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -35.06 151.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 29.7 mt-30 -141.5 27.95 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.802 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -125.98 126.47 44.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.33 -44.19 5.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.69 56.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 8.9 t80 -88.17 134.82 33.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.453 ' O ' ' CE1' ' A' ' 46' ' ' TYR . 84.2 p -69.31 120.38 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.802 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 1.6 m-85 -98.21 -166.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.4 p -100.15 159.64 14.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.02 22.16 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.06 -54.1 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -69.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.468 HD12 ' CB ' ' A' ' 48' ' ' TYR . 20.4 mt -44.23 -34.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -85.26 46.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -141.2 -47.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.44 28.63 13.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.803 HG11 ' CH2' ' A' ' 59' ' ' TRP . 8.0 p -63.4 93.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.794 HD13 ' CD2' ' A' ' 39' ' ' HIS . 9.8 tp -54.04 109.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.803 ' CH2' HG11 ' A' ' 57' ' ' VAL . 49.3 m95 -70.92 157.45 38.15 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -167.14 -64.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.597 ' OE2' ' CZ ' ' A' ' -3' ' ' PHE . 1.3 tt0 -166.77 -77.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -57.82 -56.03 27.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.722 HD21 HG22 ' A' ' 57' ' ' VAL . 7.7 t30 -41.52 -67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.431 ' HA ' ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -38.29 -56.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.583 ' CB ' HD11 ' A' ' 95' ' ' ILE . 1.2 t -56.26 -38.96 71.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -53.64 -28.59 33.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 20.8 t80 -93.87 -42.84 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.6 mt -48.28 -42.16 29.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.567 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.5 OUTLIER -64.59 -60.63 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.567 ' N ' HG22 ' A' ' 69' ' ' THR . 3.9 m-20 -124.13 75.52 59.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.591 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -44.95 -53.94 7.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.506 HG13 ' CE1' ' A' ' 67' ' ' TYR . 28.1 mm -87.19 113.61 54.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.47 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.77 55.12 0.75 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' THR . 0.8 OUTLIER -96.89 113.33 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 110.363 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -65.97 -11.24 46.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.9 ttt -63.42 95.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.72 71.62 8.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -102.0 -51.29 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 102.42 -59.04 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.434 ' CA ' ' O ' ' A' ' 69' ' ' THR . . . 134.28 136.94 3.72 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.6 mt -73.61 -35.95 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 1.5 pttm 51.42 22.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -133.34 75.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -38.95 -32.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.332 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' LYS . 15.3 mttt -48.02 -64.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 93' ' ' ASP . 4.4 m-20 -61.95 -47.2 85.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.651 ' O ' HD12 ' A' ' 95' ' ' ILE . 6.6 mtm180 -46.73 -43.78 18.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.65 -34.81 71.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 90' ' ' ASP . 56.0 m-20 -83.05 -37.16 24.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.933 HD13 ' CE2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -43.28 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 91' ' ' ARG . 1.4 mp -50.01 -53.07 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -35.71 -48.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.933 ' CE2' HD13 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -87.26 -43.02 12.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -41.95 -58.01 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.91 -38.82 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -69.54 -57.44 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.03 -39.39 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.56 -25.18 63.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.498 ' HZ ' ' HG1' ' A' ' 96' ' ' THR . 5.6 t80 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.483 0.183 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.19 107.46 19.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' -3' ' ' PHE . . . -70.78 156.04 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.437 ' C ' ' HG ' ' A' ' 2' ' ' SER . . . -178.25 -103.23 0.17 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.142 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.504 ' OG ' HG22 ' A' ' 96' ' ' THR . 96.5 p 55.49 -95.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.452 ' N ' ' OG ' ' A' ' 2' ' ' SER . . . 51.16 -143.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -70.25 75.02 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.01 -34.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.76 -24.4 42.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . . . -63.54 -32.43 73.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -11.45 31.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.109 HD22 HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -77.09 -78.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -37.47 -50.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.5 tptt -38.49 -32.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.562 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -134.14 126.53 30.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.421 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 89.61 21.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 72.3 m -156.1 -71.77 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 108.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 10' ' ' PHE . 1.8 tp -45.99 -26.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 14' ' ' CYS . 11.2 pt20 -54.36 -27.37 35.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.465 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 95.3 m -113.43 -56.25 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 126.843 3.211 . . . . 0.0 108.294 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -104.84 151.65 23.56 Favored 'General case' 0 C--N 1.381 1.94 0 O-C-N 118.204 -2.81 . . . . 0.0 115.102 -163.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.608 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -109.25 124.87 51.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 111.05 -2.795 . . . . 0.0 110.425 -179.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.941 HG21 ' HB1' ' A' ' 101' ' ' ALA . 5.8 p -91.46 -21.79 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.8 159.97 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.632 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 3.1 tttt -78.33 162.81 26.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.64 56.3 22.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.66 126.69 8.27 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.0 -9.46 20.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.559 1.821 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.521 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 28.0 m-70 84.03 137.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.584 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -114.54 -100.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 95.6 t -85.92 -24.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.48 170.23 24.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -74.98 163.21 35.83 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.608 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.7 OUTLIER -68.97 136.18 52.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' HIS . 18.4 mt -89.05 -47.44 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.632 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 1.2 p-80 -38.85 103.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.613 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.96 -25.08 4.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.5 pp -60.81 -158.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.752 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.0 m-85 58.01 92.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 123.99 -11.92 8.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.552 1.157 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 58' ' ' LEU . 20.1 mmt-85 -112.6 174.36 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.702 ' CD2' HD13 ' A' ' 58' ' ' LEU . 4.9 m170 -92.88 115.18 27.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.555 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.447 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 85.6 p 39.01 -160.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -56.32 135.03 50.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.408 ' NE2' ' HD2' ' A' ' 38' ' ' ARG . 8.3 mt-30 -126.5 25.23 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.637 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -74.12 126.91 31.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -111.77 95.25 5.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.92 -47.59 0.86 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 47' ' ' SER . 7.8 t80 -76.07 127.52 33.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.543 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 36.7 p -53.79 128.03 28.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.956 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.637 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -117.41 -175.42 2.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.9 p -108.75 162.27 14.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.04 21.98 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -112.03 -54.38 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 54' ' ' LYS . 1.7 m-20 -65.43 -80.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 48' ' ' TYR . 31.8 mt -39.58 -32.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 52' ' ' ASN . 6.3 mmtp -85.12 46.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.53 -46.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' OD1' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 69.41 37.1 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.64 HG22 HD21 ' A' ' 63' ' ' ASN . 2.6 p -74.61 90.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 39' ' ' HIS . 8.5 tp -51.34 116.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.559 ' CZ2' HG13 ' A' ' 57' ' ' VAL . 52.4 m95 -80.96 140.9 34.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 107.988 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -153.65 -69.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 1.9 tt0 -167.67 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.441 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -53.78 -49.56 68.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.64 HD21 HG22 ' A' ' 57' ' ' VAL . 4.6 t30 -44.59 -64.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.4 ttm -43.49 -44.6 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.576 ' HA ' HD11 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -48.63 -36.73 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.004 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -75.65 -44.52 42.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -53.9 -43.02 69.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' ' 69' ' ' THR . 20.8 mt -74.42 -176.5 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER 72.88 -55.37 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' N ' HG22 ' A' ' 69' ' ' THR . 8.6 m-80 -134.53 66.93 71.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CD2' HG13 ' A' ' 75' ' ' ILE . 69.5 t80 -39.54 -53.65 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.559 HG13 ' CD2' ' A' ' 74' ' ' TYR . 50.4 mt -109.4 106.4 58.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 100.73 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 114.88 36.56 1.24 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.2 t -100.95 114.29 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -60.84 -15.09 26.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.0 ttt -58.93 92.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.81 69.48 10.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 16.9 t80 -114.99 129.55 56.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.56 -58.26 15.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.503 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 119.28 144.88 7.47 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.006 HD21 HD21 ' A' ' 9' ' ' LEU . 1.4 mt -75.7 -170.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -150.69 -58.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.6 mmmt -60.99 90.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -38.43 -36.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -47.75 -62.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.631 ' HB3' HD11 ' A' ' 9' ' ' LEU . 4.0 m-20 -63.23 -44.94 93.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.421 ' NH1' ' OG1' ' A' ' 69' ' ' THR . 15.6 mtm180 -50.75 -41.78 56.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -74.81 -42.15 58.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' A' ' 96' ' ' THR . 90.4 m-20 -55.57 -66.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.109 HD22 HD22 ' A' ' 9' ' ' LEU . 14.6 tp -39.86 -58.48 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 65' ' ' SER . 87.4 mt -42.04 -45.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.504 HG22 ' OG ' ' A' ' 2' ' ' SER . 0.8 OUTLIER -65.46 -55.01 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 7' ' ' ALA . 40.5 t80 -56.71 -40.97 76.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -56.32 -44.93 80.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.74 -46.06 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -46.23 16.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.941 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -48.87 -48.02 42.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 33' ' ' HIS . 6.6 p -74.88 -30.72 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.511 0.196 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.54 20.26 10.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . 58.73 158.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -115.9 -33.6 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.16 167.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 110.045 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.46 64.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -126.49 119.19 26.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER 38.26 38.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.03 -55.95 0.86 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.501 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -55.76 -55.52 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.34 -20.46 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.874 HD22 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.46 -77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 58.1 t80 -41.77 -46.12 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.81 -28.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.573 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -129.75 127.26 40.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.573 ' CB ' ' O ' ' A' ' 12' ' ' THR . 1.2 mmt180 90.04 22.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.1 m -155.48 -67.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.3 mp -42.67 -42.04 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -42.7 -27.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' HG11 ' A' ' 28' ' ' VAL . 74.2 m -114.1 -59.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 126.861 3.219 . . . . 0.0 108.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -101.41 167.15 10.35 Favored 'General case' 0 C--N 1.381 1.963 0 O-C-N 118.148 -2.845 . . . . 0.0 115.087 -163.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.2 p -141.95 115.59 9.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 111.099 -2.773 . . . . 0.0 110.385 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.58 -23.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -61.8 162.35 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.55 ' CD ' ' NE2' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -88.31 170.51 10.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.39 58.99 3.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.15 147.19 18.36 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.18 32.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 32.0 m-70 -77.88 111.44 13.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 -111.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.497 HG11 ' SG ' ' A' ' 17' ' ' CYS . 90.1 t -84.43 -30.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.76 155.0 20.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -75.03 139.08 23.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.951 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.3 m120 -49.96 118.18 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 35' ' ' ILE . 45.0 mt -72.06 -67.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.55 ' NE2' ' CD ' ' A' ' 22' ' ' LYS . 1.5 t-80 73.93 -138.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.58 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -87.29 59.1 4.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.46 -149.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 51.2 m-85 55.53 100.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 127.26 -32.14 3.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.458 ' NE ' ' OE1' ' A' ' 42' ' ' GLN . 4.9 mmt180 -85.46 171.29 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.685 ' CD2' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -93.44 111.15 22.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.545 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.469 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 84.1 p 40.84 -162.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.531 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -48.73 130.25 22.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' OE1' ' NE ' ' A' ' 38' ' ' ARG . 9.3 mt-30 -135.02 34.5 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.566 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -72.34 -14.22 61.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 43' ' ' ALA . 2.6 tm-20 33.61 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.83 -46.77 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 4.3 t80 -53.48 140.66 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.6 p -66.08 79.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CB ' HD12 ' A' ' 53' ' ' ILE . 3.4 m-85 -80.17 178.07 8.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 p -115.31 -152.2 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.74 23.34 11.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.33 -56.67 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 54' ' ' LYS . 2.5 m-20 -63.61 -82.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.582 HD12 ' CB ' ' A' ' 48' ' ' TYR . 14.8 mt -38.67 -32.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' ' C ' ' A' ' 52' ' ' ASN . 12.9 mmtt -84.12 47.86 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.627 ' HD3' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -137.6 -46.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.607 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER 59.9 32.18 21.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.86 HG11 ' CH2' ' A' ' 59' ' ' TRP . 14.4 p -72.34 90.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.685 HD12 ' CD2' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -52.27 96.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.86 ' CH2' HG11 ' A' ' 57' ' ' VAL . 51.5 m95 -58.28 145.48 37.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 108.028 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -141.49 -60.38 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.838 ' HG2' HG21 ' A' ' 95' ' ' ILE . 11.5 tt0 -178.71 -55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.8 OUTLIER -84.28 -56.3 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.621 ' ND2' HG22 ' A' ' 57' ' ' VAL . 1.1 p-10 -40.59 -40.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.59 ' SD ' ' CE1' ' A' ' 36' ' ' PHE . 34.7 ttm -63.51 -44.97 92.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.734 ' HB2' HD11 ' A' ' 95' ' ' ILE . 11.2 t -53.95 -51.75 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -43.74 -48.55 8.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 8.3 t80 -67.62 -48.3 67.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -45.69 -45.43 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.526 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -60.56 -56.59 19.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.526 ' N ' HG22 ' A' ' 69' ' ' THR . 1.4 m120 -124.95 75.3 66.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -41.99 -39.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.627 HD13 ' HD3' ' A' ' 55' ' ' LYS . 23.8 mm -112.68 95.85 34.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 90.56 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.59 38.62 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.462 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.6 t -105.65 115.22 29.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -58.58 -17.75 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.4 ttt -57.73 91.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.91 84.92 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -120.82 132.31 54.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.86 -53.88 34.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.36 118.54 3.07 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.2 mt -61.73 165.11 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.46 -53.55 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' GLU . 7.4 mmmt -55.57 98.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -37.0 -63.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' ASN . 10.7 mttt -44.42 -56.24 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -44.6 -32.65 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.715 ' O ' HD12 ' A' ' 95' ' ' ILE . 12.8 mtm180 -79.65 -38.6 33.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' LYS . 13.7 m-20 -69.3 -34.21 74.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -69.17 -44.93 71.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.874 HD13 HD22 ' A' ' 9' ' ' LEU . 7.4 tp -57.0 -67.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.838 HG21 ' HG2' ' A' ' 61' ' ' GLU . 6.9 mt -40.7 -51.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.56 -52.13 18.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.501 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 60.8 t80 -71.28 -41.63 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.416 HD12 ' HG ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -55.48 -52.96 61.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -35.4 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 103' ' ' GLU . 44.3 tttm -74.49 -62.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.73 31.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.6 p -62.75 -25.9 68.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 100' ' ' LYS . 22.3 pt-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.454 0.168 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.76 130.87 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -71.76 155.61 40.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.416 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . -115.05 -141.07 7.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 168.47 75.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.03 52.12 5.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.3 101.57 10.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt 41.53 49.92 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.54 -45.51 2.5 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -64.36 -58.51 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.26 -26.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.97 HD22 HD13 ' A' ' 94' ' ' LEU . 8.0 tt -71.43 -77.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.541 ' O ' ' C ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -43.15 -48.72 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 10' ' ' PHE . 3.0 ttpp -29.82 -73.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 12' ' ' THR . 1.2 m -109.48 60.61 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.806 ' NH1' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -146.84 -60.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -35.57 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD22 ' HA ' ' A' ' 11' ' ' LYS . 4.5 tp -43.43 -36.86 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -48.65 -33.42 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 87.7 m -104.62 -55.44 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 126.812 3.196 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -105.03 162.77 13.08 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 118.151 -2.843 . . . . 0.0 115.15 -163.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.565 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -111.7 115.86 29.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 111.127 -2.761 . . . . 0.0 110.41 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.943 HG23 ' HB1' ' A' ' 101' ' ' ALA . 2.6 p -86.21 -30.86 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -59.51 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.68 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 2.8 ttpt -123.22 -63.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.63 56.56 2.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.26 128.28 6.12 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 159.94 40.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.537 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 16.2 m-70 -73.5 141.63 46.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.613 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -122.33 -97.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 77.0 t -89.99 -23.61 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.94 163.41 26.99 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 159.67 40.95 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.565 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.9 OUTLIER -64.67 138.42 58.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 35' ' ' ILE . 18.9 mt -92.77 -47.37 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.68 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -37.86 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.584 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.5 -25.09 4.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.5 pp -60.26 -158.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.739 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.2 m-85 57.83 93.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 121.51 -14.17 9.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.438 1.086 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 38' ' ' ARG . 1.1 mpt_? -111.99 165.33 12.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 110.375 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.424 ' ND1' HD12 ' A' ' 58' ' ' LEU . 1.6 m80 -89.06 146.32 24.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.45 ' HB3' HG23 ' A' ' 57' ' ' VAL . 91.0 p -37.86 140.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.67 93.22 0.37 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.117 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -126.51 3.5 6.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 0.803 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -116.71 126.82 53.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -99.72 -48.87 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.253 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.91 -40.52 73.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.537 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 10.3 t80 -94.29 121.58 35.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 89.9 p -62.02 139.73 58.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.547 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -106.4 -177.96 3.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -85.94 157.76 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.62 12.99 13.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.08 -45.88 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 55' ' ' LYS . 13.1 t-20 -60.73 -71.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.3 mt -39.79 -33.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' ASN . 6.5 mmtp -87.52 45.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -141.73 -48.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 58.39 86.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.661 HG11 ' HE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -126.21 102.57 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.514 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.1 tt -62.7 79.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.519 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 53.9 m95 -33.42 142.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.602 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 t0 -148.83 -72.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -169.39 -66.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.85 -46.6 68.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -48.1 -65.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.519 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -47.81 -52.09 20.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.803 ' OG ' HD11 ' A' ' 95' ' ' ILE . 5.5 t -44.59 -46.68 10.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -56.44 -42.93 78.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.659 ' CE1' HD12 ' A' ' 75' ' ' ILE . 25.4 t80 -72.66 -30.53 64.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 65' ' ' SER . 76.3 mt -65.34 -45.88 82.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 66' ' ' GLU . 4.2 t -70.27 -44.5 68.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -130.76 73.32 81.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.498 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.661 ' HE2' HG11 ' A' ' 57' ' ' VAL . 25.4 t80 -40.27 -54.17 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.659 HD12 ' CE1' ' A' ' 67' ' ' TYR . 82.5 mt -108.4 107.91 60.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.49 4.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.27 42.53 5.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 78' ' ' THR . 5.1 t -93.68 108.97 20.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -44.44 -27.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 78' ' ' THR . 21.4 ttt -58.75 93.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.03 62.8 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -99.97 144.64 28.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -71.23 95.88 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.61 117.33 1.16 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD21 ' NH1' ' A' ' 13' ' ' ARG . 6.0 mt -69.23 179.23 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -150.86 -55.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.34 92.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' LYS . 5.2 mt-10 -44.23 -33.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -45.24 -66.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -46.51 81.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -47.51 -37.88 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -71.34 -59.85 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -44.34 -51.32 8.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.97 HD13 HD22 ' A' ' 9' ' ' LEU . 11.5 tp -53.5 -67.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.803 HD11 ' OG ' ' A' ' 65' ' ' SER . 53.3 mt -39.62 -54.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -42.47 -48.76 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 100' ' ' LYS . 13.8 t80 -79.2 -45.75 19.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.545 HD23 ' HG ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -43.78 -52.16 6.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.37 -39.45 57.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 103' ' ' GLU . 4.8 tmmm? -72.65 -44.55 61.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.943 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . -42.49 -43.91 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -83.95 -28.25 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.59 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 6.5 t80 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 101.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.57 156.15 27.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -90.88 -117.09 1.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p 176.77 -70.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.22 -178.92 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.73 54.01 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -179.01 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.91 -42.02 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -57.23 -59.34 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.13 -22.15 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.908 HD22 HD13 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -67.8 -80.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' LEU . 11.5 t80 -37.31 -39.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -45.63 -44.55 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 67.9 p -124.41 142.84 50.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' THR . 3.1 mmt180 79.95 19.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -158.49 -68.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 11' ' ' LYS . 13.5 mt -45.83 -43.49 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -47.43 -24.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.0 m -110.8 -56.82 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 126.831 3.205 . . . . 0.0 108.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -110.3 174.26 5.94 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 118.174 -2.828 . . . . 0.0 115.105 -163.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 20.5 p -148.41 124.01 10.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 111.078 -2.783 . . . . 0.0 110.426 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.12 -21.96 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -54.03 179.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 7.2 tttm -115.4 154.12 29.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 77.0 21.53 73.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.73 133.46 40.98 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.03 14.8 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 22.3 m-70 72.65 127.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.633 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -122.59 -99.01 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.5 t -85.94 -37.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.38 160.69 23.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.97 140.52 25.64 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 19' ' ' THR . 2.1 m120 -57.48 119.33 6.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' A' ' 35' ' ' ILE . 78.9 mt -70.49 -66.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.8 OUTLIER 76.69 -136.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.606 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -91.2 59.56 3.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -61.75 -142.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.427 0.722 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 60' ' ' ASP . 26.7 m-85 52.09 103.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.46 -57.0 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 58' ' ' LEU . 18.2 mmt85 -70.54 179.32 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.582 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -105.35 121.88 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.496 ' O ' ' C ' ' A' ' 41' ' ' GLY . 51.5 p 35.81 -153.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 40' ' ' SER . . . -30.16 129.45 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.562 1.164 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 46.3 mt-30 -114.95 -0.37 13.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.25 153.67 48.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' GLY . 36.5 mt-10 -108.64 -37.58 5.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' GLU . . . -37.87 -53.69 1.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.577 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -72.8 129.2 37.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.987 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.6 p -73.45 86.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.65 ' CB ' HD12 ' A' ' 53' ' ' ILE . 3.7 m-85 -62.06 -179.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -103.26 177.61 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.74 22.22 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -115.54 -58.8 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.31 -74.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.65 HD12 ' CB ' ' A' ' 48' ' ' TYR . 4.9 mt -41.23 -37.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -85.62 46.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 -47.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 57.68 68.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.69 HG11 ' HE2' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -107.66 106.0 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.582 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -57.94 81.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.563 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 43.3 m95 -39.25 135.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 107.979 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 5.8 t0 -154.35 -156.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE2' ' CD2' ' A' ' -3' ' ' PHE . 29.0 tt0 -83.49 -27.01 29.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.72 -36.95 4.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -45.84 -62.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.563 ' HG3' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -60.04 -39.53 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.474 ' OG ' ' CD1' ' A' ' 95' ' ' ILE . 16.1 m -51.21 -45.29 61.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.49 -43.67 98.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.569 ' CE1' HD12 ' A' ' 75' ' ' ILE . 9.5 t80 -70.12 -54.75 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.49 -38.0 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.438 ' OG1' ' NH1' ' A' ' 91' ' ' ARG . 0.7 OUTLIER -62.9 -46.73 86.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -140.1 73.01 32.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.69 ' HE2' HG11 ' A' ' 57' ' ' VAL . 53.6 t80 -37.59 -48.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 67' ' ' TYR . 64.8 mt -111.02 100.77 47.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 98.26 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.521 1.801 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.53 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 119.78 35.21 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.8 t -95.6 111.11 23.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -19.19 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.3 ttt -59.94 95.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.86 59.58 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -97.01 -66.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.51 -65.81 0.5 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.51 148.48 7.07 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.0 mt -86.57 -169.48 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -147.17 -47.79 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -65.41 92.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.0 -32.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -46.85 -64.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.18 -47.12 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 86' ' ' LYS . 5.5 mtm180 -47.66 -44.15 26.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -70.17 -60.38 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 96' ' ' THR . 72.0 m-20 -40.39 -45.18 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.908 HD13 HD22 ' A' ' 9' ' ' LEU . 7.0 tp -54.04 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.474 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 8.4 mt -43.24 -28.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 0.5 OUTLIER -70.54 -47.08 62.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 52.3 t80 -75.58 -44.55 42.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -55.48 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -51.33 -28.97 13.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -65.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.23 -50.83 48.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' HIS . 40.8 m -66.8 -32.13 73.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' -3' ' ' PHE . 9.3 t80 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.481 0.182 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -82.4 103.44 11.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -41.47 158.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.416 ' HA3' HG21 ' A' ' 96' ' ' THR . . . -107.77 -125.2 5.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p -168.45 170.42 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.16 53.54 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.59 58.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -174.55 -40.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.22 -38.43 5.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.561 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -49.36 -61.48 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -16.98 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.964 HD22 ' HG ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -75.59 -76.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 36.1 t80 -35.79 -47.2 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.532 ' HG3' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -46.75 -49.17 20.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -106.91 123.95 48.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 87.61 23.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.75 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.639 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 mp -46.13 -40.64 11.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -48.6 -25.41 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.7 m -110.88 -56.99 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 126.855 3.217 . . . . 0.0 108.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -108.5 176.01 5.27 Favored 'General case' 0 C--N 1.381 1.939 0 O-C-N 118.165 -2.834 . . . . 0.0 115.126 -163.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.623 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -139.82 135.25 32.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.091 -2.777 . . . . 0.0 110.398 -179.381 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -86.68 -39.21 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 11.1 mttt -127.74 -57.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -40.14 -33.73 0.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.23 124.37 34.93 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.595 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 44.6 m-70 -87.51 135.5 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -123.22 -98.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -95.06 -24.61 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.38 155.46 23.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.76 31.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.623 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.5 OUTLIER -55.54 127.85 31.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.1 mt -85.74 -64.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER 70.87 -147.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.604 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -78.49 59.56 4.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.29 -143.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.695 ' CE1' ' HE2' ' A' ' 64' ' ' MET . 24.7 m-85 57.38 115.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.01 -31.44 6.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 13.4 mmt-85 -87.96 170.86 10.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' SER . 19.3 m80 -100.05 115.52 29.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.498 ' HB3' HG12 ' A' ' 57' ' ' VAL . 79.7 p 37.37 -155.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -35.21 151.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 26.2 mt-30 -141.04 28.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.54 150.66 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -109.31 -35.41 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.87 -53.27 3.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -72.85 129.36 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.3 p -64.85 81.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CE2' ' HA3' ' A' ' 41' ' ' GLY . 1.9 m-85 -67.84 -176.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 p -109.14 -176.41 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.367 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.79 22.02 16.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -112.69 -57.94 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -60.01 -73.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.407 HD12 ' HB3' ' A' ' 48' ' ' TYR . 19.5 mt -39.76 -38.24 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -86.94 46.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -139.75 -46.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER 69.27 21.05 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.5 p -49.74 92.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ASN . 1.7 tt -58.39 99.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CE3' ' HG2' ' A' ' 64' ' ' MET . 53.8 m95 -63.03 136.39 57.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.555 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 t70 -145.95 -153.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 95' ' ' ILE . 1.0 OUTLIER -87.65 -25.77 23.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -116.47 -42.98 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 58' ' ' LEU . 13.1 t30 -41.2 -57.44 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.695 ' HE2' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -58.62 -42.42 88.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.634 ' CB ' HD11 ' A' ' 95' ' ' ILE . 5.6 t -47.37 -40.0 16.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -49.33 61.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.477 ' CE1' HD12 ' A' ' 75' ' ' ILE . 23.8 t80 -61.28 -57.58 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.6 mt -45.09 -42.22 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.518 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -58.77 -60.01 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.518 ' N ' HG22 ' A' ' 69' ' ' THR . 1.0 OUTLIER -132.59 75.86 72.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.457 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.484 ' CD2' HG13 ' A' ' 75' ' ' ILE . 75.7 t80 -37.4 -50.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 74' ' ' TYR . 32.8 mt -108.8 101.57 44.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 81.97 2.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.536 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 137.73 44.11 0.08 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 78' ' ' THR . 0.9 OUTLIER -109.49 113.95 27.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.411 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -14.16 33.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 19.1 ttt -60.29 97.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.95 62.11 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -99.5 130.12 45.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -43.87 -59.76 3.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.93 111.22 2.74 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.65 169.01 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' O ' ' NE ' ' A' ' 91' ' ' ARG . 14.8 mtmm -152.78 -48.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -64.12 104.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -41.63 -31.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.84 -67.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.23 -48.2 79.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.532 ' O ' HD12 ' A' ' 95' ' ' ILE . 8.4 mtm180 -48.09 -42.04 27.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -68.42 -58.9 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -44.08 -54.02 5.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.964 ' HG ' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -56.55 -68.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.634 HD11 ' CB ' ' A' ' 65' ' ' SER . 11.7 mt -40.4 -36.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.416 HG21 ' HA3' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -66.27 -49.5 66.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 34.6 t80 -73.56 -50.8 19.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.639 HD23 HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -45.21 -50.26 11.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.177 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -55.55 -35.28 65.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLU . 2.1 tmtt? -78.51 -66.2 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -45.81 -47.97 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 38.9 p -68.3 -28.43 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 100' ' ' LYS . 16.7 pt-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' -3' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.47 0.176 . . . . 0.0 110.975 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -93.26 131.13 38.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -91.75 155.63 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -102.99 -38.17 2.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.94 -72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.001 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.25 32.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HG3' ' CA ' ' A' ' 1' ' ' GLY . 3.2 mmtp -69.58 -158.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.14 58.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.7 -53.6 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.8 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . . . -57.25 -52.34 65.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.736 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -18.88 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.926 HD22 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -71.48 -77.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.628 ' CD2' HD13 ' A' ' 15' ' ' LEU . 41.6 t80 -37.06 -43.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.707 ' HA ' HD22 ' A' ' 15' ' ' LEU . 2.0 ttmt -40.21 -42.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.2 p -123.78 148.99 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 12' ' ' THR . 5.7 mmt180 77.54 8.08 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.31 -63.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.707 HD22 ' HA ' ' A' ' 11' ' ' LYS . 2.5 tp -46.94 -42.24 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -49.52 -22.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -114.3 -58.14 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 126.876 3.227 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' CE1' ' HA3' ' A' ' 29' ' ' GLY . 93.1 m-70 -109.82 170.15 8.26 Favored 'General case' 0 C--N 1.382 1.982 0 O-C-N 118.126 -2.859 . . . . 0.0 115.126 -163.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.408 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 11.7 p -135.82 113.15 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.457 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.683 HG21 ' CB ' ' A' ' 101' ' ' ALA . 9.7 p -73.14 -29.05 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 3.1 mt-10 -61.83 160.78 11.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.549 ' CG ' ' NE2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -69.44 -163.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.23 41.34 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.4 ' HA3' ' OD1' ' A' ' 31' ' ' ASN . . . -60.47 119.1 17.13 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.79 20.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 12.6 m-70 69.41 107.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -115.94 -98.97 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.89 -33.32 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CE1' ' A' ' 18' ' ' HIS . . . -138.59 161.25 25.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -75.02 143.35 28.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.56 1.821 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.7 t30 -41.88 151.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.646 ' HB3' HD12 ' A' ' 35' ' ' ILE . 55.8 mt -128.64 49.98 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' CG ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -47.93 90.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.606 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 24.6 49.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.723 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -38.59 120.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 5.7 m-85 -178.76 122.57 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.14 4.68 57.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.984 ' O ' HD12 ' A' ' 58' ' ' LEU . 23.7 mmt-85 -121.76 176.22 5.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.786 . . . . 0.0 110.333 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.955 ' CD2' HD13 ' A' ' 58' ' ' LEU . 51.5 m80 -103.32 115.86 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.581 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.462 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 79.4 p 38.56 -158.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -56.85 126.75 42.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -120.41 50.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.8 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -128.2 131.43 48.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -98.73 -52.35 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.17 -48.7 2.12 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -79.91 122.8 27.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 110.994 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.0 p -65.51 83.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.8 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 2.0 m-85 -62.7 -173.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 111.052 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.6 p -109.79 176.48 5.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.23 22.55 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -114.6 -57.06 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -62.82 -77.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 48' ' ' TYR . 31.6 mt -39.25 -32.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 52' ' ' ASN . 5.9 mmtp -85.01 47.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.42 -47.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER 66.96 10.89 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.627 HG13 ' CZ2' ' A' ' 59' ' ' TRP . 3.0 p -50.88 92.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.984 HD12 ' O ' ' A' ' 38' ' ' ARG . 11.7 tp -54.83 115.96 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.644 ' CE3' ' HE2' ' A' ' 64' ' ' MET . 46.0 m95 -80.19 117.86 21.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 41.5 t0 -114.65 -65.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.473 ' CG ' ' CG2' ' A' ' 95' ' ' ILE . 36.0 tt0 -179.0 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ASN . 2.7 t30 -95.77 -63.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 58' ' ' LEU . 6.0 p-10 -39.87 -42.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.644 ' HE2' ' CE3' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -48.23 -49.23 33.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.625 ' OG ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -61.47 -49.47 76.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' HG22 ' A' ' 69' ' ' THR . 1.0 OUTLIER -39.61 -32.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.969 ' CE1' HD12 ' A' ' 75' ' ' ILE . 7.7 t80 -86.23 -50.88 6.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.8 mt -42.85 -44.23 4.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 66' ' ' GLU . 3.6 t -64.89 -45.32 86.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.4 ' OD1' ' CB ' ' A' ' 73' ' ' LYS . 6.6 t-20 -129.01 73.43 81.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.493 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' TYR . 6.1 tttp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.481 ' OH ' HG23 ' A' ' 57' ' ' VAL . 2.1 t80 -37.14 -48.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.969 HD12 ' CE1' ' A' ' 67' ' ' TYR . 85.8 mt -110.21 99.73 41.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 89.98 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.541 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 125.87 40.36 0.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 80' ' ' MET . 0.7 OUTLIER -103.24 117.09 33.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.413 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -66.38 -10.51 44.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.463 ' HB3' HG23 ' A' ' 78' ' ' THR . 12.1 ttt -59.74 95.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.3 68.69 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.51 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 20.2 t80 -124.55 153.66 41.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.16 98.71 1.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.51 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . -39.08 118.76 0.86 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.85 -56.35 14.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm 77.07 42.12 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLU . 33.0 mmtp -131.61 79.08 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.4 OUTLIER -38.19 -34.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -68.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -65.69 -55.13 19.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -42.8 -44.56 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 36.6 m-20 -53.68 -47.58 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.2 -56.67 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.926 HD12 HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -55.24 -58.05 9.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.625 HD11 ' OG ' ' A' ' 65' ' ' SER . 68.4 mt -40.47 -29.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.444 ' N ' ' C ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -87.36 -50.08 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.8 ' CE2' ' HB2' ' A' ' 7' ' ' ALA . 58.3 t80 -58.97 -45.3 90.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.677 HD12 HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -55.2 -42.3 73.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 5.0 ttpp -64.1 -13.41 47.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.15 -25.8 13.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.683 ' CB ' HG21 ' A' ' 20' ' ' VAL . . . -49.46 -51.08 38.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.5 p -51.47 -21.61 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' -2' ' ' LYS . 3.5 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.505 0.193 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . 0.6 ' O ' ' CZ ' ' A' ' -3' ' ' PHE . 1.1 tptm -88.45 161.4 17.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -86.96 163.96 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.556 ' CA ' HG21 ' A' ' 96' ' ' THR . . . -120.52 97.56 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -83.57 51.14 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 0.74 . . . . 0.0 109.974 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 4' ' ' LYS . . . 43.33 -164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 20.0 pttp 39.71 67.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 164.86 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.53 -41.33 5.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -59.79 -73.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.11 -29.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.014 HD22 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -65.21 -77.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.725 ' CD2' HD13 ' A' ' 15' ' ' LEU . 56.5 t80 -40.86 -27.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.74 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.5 ttmt -58.18 -44.45 88.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.9 p -122.38 146.43 47.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.438 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 76.83 7.59 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.1 m -147.08 -66.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.299 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.74 HD22 ' HA ' ' A' ' 11' ' ' LYS . 1.5 tp -44.71 -34.86 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -48.94 -23.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.2 m -109.79 -56.1 2.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 126.795 3.188 . . . . 0.0 108.303 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -109.91 176.18 5.16 Favored 'General case' 0 C--N 1.381 1.95 0 O-C-N 118.178 -2.826 . . . . 0.0 115.127 -163.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.581 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -135.55 126.64 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 111.078 -2.783 . . . . 0.0 110.39 -179.392 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.782 ' CG2' ' HB1' ' A' ' 101' ' ' ALA . 4.1 p -86.6 -33.27 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.19 157.89 33.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.642 ' CD ' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -73.96 -170.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.57 59.61 1.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.28 126.57 5.43 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 124.64 8.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.7 m-70 -46.07 144.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -132.86 -94.18 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.3 t -95.74 -27.84 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.53 160.39 26.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.04 143.54 29.06 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.581 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.6 OUTLIER -52.95 133.21 38.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.9 24.62 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' CE1' ' CD ' ' A' ' 22' ' ' LYS . 51.4 t-80 -80.59 94.86 6.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.25 57.74 0.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.563 1.164 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.751 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.3 pp -116.0 -161.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.751 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 m-85 59.65 116.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.82 27.32 6.72 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.547 ' O ' HD12 ' A' ' 58' ' ' LEU . 20.8 mmt180 -151.35 -173.63 4.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.626 ' NE2' HD13 ' A' ' 58' ' ' LEU . 5.1 m80 -106.48 155.87 19.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.64 ' HB3' HG12 ' A' ' 57' ' ' VAL . 77.5 p -39.56 129.4 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.593 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 102.54 76.5 1.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.517 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 20.4 mt-30 -111.44 35.13 3.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.625 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -142.17 134.82 28.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -110.59 91.29 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.51 -47.01 0.89 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 1.3 t80 -55.45 131.62 46.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -72.96 94.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.625 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 2.8 m-85 -77.99 175.45 10.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 p -101.7 173.97 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.51 23.21 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.33 -54.74 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 55' ' ' LYS . 24.2 t30 -63.2 -77.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 48' ' ' TYR . 15.9 mt -41.5 -34.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -87.75 43.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -141.94 -47.01 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 1.3 t-20 83.24 39.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.64 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.7 p -72.04 88.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.626 HD13 ' NE2' ' A' ' 39' ' ' HIS . 7.0 tp -63.09 99.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.418 ' CZ3' ' CD2' ' A' ' 67' ' ' TYR . 43.5 m95 -62.09 118.59 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 108.007 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.563 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -136.44 -70.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -169.15 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -61.33 -35.64 77.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -63.09 -60.96 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 36' ' ' PHE . 29.1 ttm -53.62 -42.77 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.518 ' OG ' HD11 ' A' ' 95' ' ' ILE . 29.1 t -51.48 -44.83 62.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.05 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -61.26 -37.83 84.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.576 ' CE1' HG13 ' A' ' 75' ' ' ILE . 15.4 t80 -73.27 -35.16 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.8 mt -67.72 -47.62 68.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.1 t -68.56 -44.11 75.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -130.17 73.86 80.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.496 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.467 1.772 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 tptt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -38.42 -49.15 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 67' ' ' TYR . 6.6 mm -102.33 107.2 52.44 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 99.97 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.446 1.761 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.8 54.0 1.58 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.452 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.8 t -106.0 115.01 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -52.22 -22.5 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.4 ttt -59.85 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -89.81 78.03 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -106.73 135.64 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -38.46 -55.13 2.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.13 104.03 2.7 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' A' ' 91' ' ' ARG . 83.2 mt -50.53 179.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' O ' ' NH2' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -162.59 -48.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -69.35 88.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.5 mt-10 -40.39 -31.31 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -65.54 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.01 -44.86 83.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.554 ' HG2' HD13 ' A' ' 85' ' ' LEU . 10.4 mtm180 -54.22 -42.3 69.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 84.2 m-20 -66.99 -49.19 66.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -49.45 -49.47 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.014 HD12 HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -72.88 -55.84 6.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.518 HD11 ' OG ' ' A' ' 65' ' ' SER . 26.0 mt -39.42 -30.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.556 HG21 ' CA ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -83.88 -50.36 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 94' ' ' LEU . 54.3 t80 -63.76 -49.88 71.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.883 HD12 HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -50.77 -40.83 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -35.96 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' GLU . 14.4 ttmm -82.25 -44.17 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.782 ' HB1' ' CG2' ' A' ' 20' ' ' VAL . . . -40.23 -41.24 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -27.81 17.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 100' ' ' LYS . 7.3 pt-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 8.1 t80 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.483 0.182 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -118.64 138.14 52.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.05 156.07 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -138.93 -63.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 3.2 p 79.88 106.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 110.035 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.15 67.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.55 51.27 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.72 59.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.98 -49.03 1.52 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -61.87 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.739 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -28.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.951 HD22 ' CD1' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -80.93 -76.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.68 ' HB2' HD21 ' A' ' 94' ' ' LEU . 58.1 t80 -39.59 -53.4 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.9 tptt -39.92 -29.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.561 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -122.56 127.31 49.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.561 ' CB ' ' O ' ' A' ' 12' ' ' THR . 2.0 mmt180 89.26 19.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.4 m -155.56 -64.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.6 mp -43.64 -37.32 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -45.78 -25.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.623 ' SG ' HG11 ' A' ' 28' ' ' VAL . 99.3 m -117.87 -60.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 126.904 3.24 . . . . 0.0 108.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -100.58 149.35 23.82 Favored 'General case' 0 C--N 1.382 1.993 0 O-C-N 118.109 -2.869 . . . . 0.0 115.122 -163.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.7 p -124.91 124.48 42.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 111.096 -2.774 . . . . 0.0 110.408 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.056 HG21 ' HB1' ' A' ' 101' ' ' ALA . 2.5 p -85.64 -7.06 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 3.4 mt-10 -77.47 156.11 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.601 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -71.62 179.26 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.73 58.58 5.35 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.17 118.75 5.96 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.92 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 27.0 m-70 72.44 126.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.547 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 -100.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.623 HG11 ' SG ' ' A' ' 17' ' ' CYS . 82.9 t -87.23 -34.56 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.51 161.79 23.68 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.99 134.31 17.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.556 1.819 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 2.4 m120 -47.46 119.15 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 33' ' ' HIS . 22.5 mt -66.82 -48.27 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.606 ' CG ' ' O ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -37.51 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.67 -20.6 4.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.692 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.8 pp -66.21 -166.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 0.777 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 2.6 m-85 57.92 107.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.46 4.66 8.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 34.9 mmt180 -150.28 -168.22 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.509 ' CE1' HD13 ' A' ' 58' ' ' LEU . 1.5 m80 -101.3 174.44 5.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.614 ' HB3' HG12 ' A' ' 57' ' ' VAL . 57.7 p -49.25 131.61 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 95.05 78.51 1.42 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 35' ' ' ILE . 10.5 mt-30 -111.5 23.35 14.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.501 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -125.71 137.65 53.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -114.39 -11.47 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.5 3.77 37.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -123.25 128.78 50.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -75.05 127.47 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 5.2 m-85 -104.13 -172.09 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 p -117.79 -171.39 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.1 24.32 10.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.85 -56.74 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' LYS . 36.3 t-20 -59.92 -73.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 52' ' ' ASN . 20.6 mt -39.78 -33.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -86.46 46.54 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -129.55 -45.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.49 32.61 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.7 p -75.5 92.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.509 HD13 ' CE1' ' A' ' 39' ' ' HIS . 3.9 tp -64.78 99.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.529 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 45.1 m95 -61.0 114.92 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.026 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' C ' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -136.79 -66.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -175.93 -76.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -59.06 -46.52 88.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.413 HD21 HG23 ' A' ' 57' ' ' VAL . 18.1 t30 -54.02 -56.09 21.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.62 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 3.5 tpp -48.69 -36.2 15.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 5.8 t -57.88 -33.57 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.02 -50.33 29.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.519 ' HE1' HD12 ' A' ' 75' ' ' ILE . 56.4 t80 -42.89 -42.06 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' THR . 20.7 mt -74.54 -170.36 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.5 OUTLIER 77.55 -53.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.501 ' N ' HG22 ' A' ' 69' ' ' THR . 1.8 m-20 -148.6 82.15 7.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.031 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -42.99 -57.31 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.57 HG22 ' HB ' ' A' ' 78' ' ' THR . 79.2 mt -111.52 97.93 38.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 93.05 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.34 39.89 0.46 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.57 ' HB ' HG22 ' A' ' 75' ' ' ILE . 8.2 t -110.57 112.27 24.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -44.87 -26.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 78' ' ' THR . 21.1 ttt -57.13 90.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.1 72.47 9.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.752 ' HZ ' HD23 ' A' ' 85' ' ' LEU . 11.2 t80 -117.35 106.92 13.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.06 -55.39 6.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.568 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 113.01 131.39 5.48 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.844 HD11 ' HG2' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -71.42 -25.5 62.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.78 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 50.68 36.96 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.167 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -127.18 71.14 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -38.34 -44.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.93 -58.12 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.61 -37.79 87.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.844 ' HG2' HD11 ' A' ' 85' ' ' LEU . 19.0 mtm180 -60.19 -42.26 94.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -50.41 -38.06 41.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -67.75 -53.87 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.951 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -55.87 -63.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.2 mt -40.08 -40.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.07 -50.24 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.501 ' CE2' ' HB2' ' A' ' 101' ' ' ALA . 60.6 t80 -71.13 -40.68 71.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.784 ' CD1' HD23 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -53.79 -49.31 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -44.66 -37.94 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -86.73 -51.75 5.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.056 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -44.27 -37.5 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.6 m -92.01 -26.9 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' LYS . 15.7 pt-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.444 ' CE1' HG22 ' A' ' 95' ' ' ILE . 10.0 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.489 0.185 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . 0.416 ' CB ' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -112.03 131.44 55.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -81.91 156.33 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.447 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . -137.66 -134.6 3.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -157.17 172.28 18.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.952 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.37 54.03 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -172.42 59.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 93' ' ' ASP . . . -90.88 -40.26 5.61 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.41 -55.99 5.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -38.78 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.71 ' HB3' HD23 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -61.05 -75.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.67 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 51.6 t80 -44.17 -25.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.0 tmtt? -52.8 -53.91 41.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.1 p -125.02 30.33 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.524 ' HB2' HD23 ' A' ' 9' ' ' LEU . 4.5 mmt85 -144.76 40.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER 171.53 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.284 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -45.92 -36.37 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -49.75 -22.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.25 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.441 ' SG ' HG11 ' A' ' 28' ' ' VAL . 80.2 m -121.34 -60.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 126.853 3.216 . . . . 0.0 108.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.49 ' CE1' HD11 ' A' ' 32' ' ' LEU . 93.0 m-70 -104.43 154.4 19.91 Favored 'General case' 0 C--N 1.382 1.979 0 O-C-N 118.114 -2.866 . . . . 0.0 115.142 -163.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.7 p -120.4 87.95 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 111.108 -2.769 . . . . 0.0 110.379 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.853 HG23 ' HB1' ' A' ' 101' ' ' ALA . 3.4 p -48.45 -36.52 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.6 mt-10 -43.48 166.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -86.17 159.4 19.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.87 57.46 3.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.98 143.36 16.17 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.84 8.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 23.2 m-70 -53.99 116.4 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -106.32 -103.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.441 HG11 ' SG ' ' A' ' 17' ' ' CYS . 85.5 t -81.5 -37.24 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.1 170.14 22.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.97 139.13 24.01 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -39.41 155.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD11 ' CE1' ' A' ' 18' ' ' HIS . 57.1 mt -130.53 51.53 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.601 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -59.46 -131.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 102' ' ' SER . . . -78.18 55.78 3.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.446 HD13 ' O ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -60.36 -152.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 0.0 109.345 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 64' ' ' MET . 3.6 m-30 56.61 115.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.84 24.18 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.466 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 48.3 mmt-85 -149.1 -173.83 4.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.741 ' CE1' HD13 ' A' ' 58' ' ' LEU . 13.3 m80 -105.44 159.86 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -38.92 131.22 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 91.58 86.04 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 29.2 mt-30 -106.35 29.76 6.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.15 125.6 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.83 -43.68 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.32 95.52 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -81.96 124.54 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.5 p -79.29 118.74 21.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.606 ' HB2' HD11 ' A' ' 53' ' ' ILE . 5.4 m-85 -93.35 177.2 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.5 p -93.51 179.29 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.55 22.2 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB1' HG22 ' A' ' 75' ' ' ILE . . . -104.84 -62.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.434 ' HA ' HD12 ' A' ' 75' ' ' ILE . 64.0 t30 -61.61 -66.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 48' ' ' TYR . 67.1 mt -43.24 -39.71 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -87.06 46.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' NZ ' ' CZ ' ' A' ' 74' ' ' TYR . 2.0 tptm -138.74 -47.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.2 33.05 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.772 HG11 ' CH2' ' A' ' 59' ' ' TRP . 9.8 p -73.81 98.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.741 HD13 ' CE1' ' A' ' 39' ' ' HIS . 5.2 tp -63.32 110.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.772 ' CH2' HG11 ' A' ' 57' ' ' VAL . 32.1 m95 -70.72 123.21 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 7.6 t0 -127.58 -70.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 18.8 tt0 -178.08 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.487 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -90.73 -62.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.659 HD22 HG22 ' A' ' 57' ' ' VAL . 6.8 p-10 -40.07 -42.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -50.32 -55.47 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -47.29 -44.53 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -52.23 -43.82 64.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 12.9 t80 -73.27 -57.91 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.8 mt -42.18 -41.15 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -61.53 -54.39 43.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.467 ' N ' HG22 ' A' ' 69' ' ' THR . 4.6 m-80 -133.24 73.75 73.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.532 1.807 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CZ ' ' NZ ' ' A' ' 55' ' ' LYS . 38.1 t80 -38.1 -51.17 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.56 HG22 ' HB1' ' A' ' 51' ' ' ALA . 16.5 mm -92.97 112.14 54.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.413 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.07 91.02 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.38 57.18 0.8 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.7 t -98.91 109.9 22.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -27.51 19.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.3 ttt -63.06 97.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.09 75.7 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -103.03 -68.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.55 -70.58 0.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.72 156.49 7.66 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 6.4 mt -89.89 -59.41 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER 84.46 -54.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -64.54 84.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 2.3 mt-10 -40.61 -39.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -60.54 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' CG ' HD12 ' A' ' 9' ' ' LEU . 6.1 m-20 -62.76 -40.56 97.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CZ ' ' HG3' ' A' ' 88' ' ' GLU . 10.4 mtm180 -54.49 -40.22 68.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.416 ' ND2' ' CB ' ' A' ' -2' ' ' LYS . 95.9 m-20 -65.21 -53.18 48.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.463 ' HB3' ' CA ' ' A' ' 6' ' ' GLY . 50.7 m-20 -53.33 -49.26 67.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.71 HD23 ' HB3' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -59.06 -61.58 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.444 HG22 ' CE1' ' A' ' -3' ' ' PHE . 45.8 mt -49.53 -42.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -44.59 -48.81 10.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.401 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -89.72 -37.9 14.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.6 HD23 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -57.35 -32.77 67.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 21.8 ttpp -36.8 -34.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -126.14 -62.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.853 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . 76.05 -5.47 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.601 ' OG ' ' CE1' ' A' ' 33' ' ' HIS . 1.5 t -94.17 -44.62 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.489 ' CG ' ' N ' ' A' ' -2' ' ' LYS . 11.1 t80 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.475 0.179 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . 0.489 ' N ' ' CG ' ' A' ' -3' ' ' PHE . 0.1 OUTLIER -127.32 131.06 50.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -92.28 156.05 17.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 169.93 71.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.469 ' CB ' HG22 ' A' ' 96' ' ' THR . 0.9 OUTLIER -129.43 -71.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.046 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 5' ' ' LYS . . . 40.0 -156.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 72.45 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 3' ' ' ALA . 56.6 tttt -170.93 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.55 -26.91 23.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -45.34 -36.52 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -24.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.003 HD22 HD22 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -65.42 -76.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CE2' ' HB ' ' A' ' 20' ' ' VAL . 40.6 t80 -42.26 -38.19 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.47 -39.02 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.6 p -131.34 155.42 47.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 75.98 9.83 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 m -151.0 -62.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.17 -38.69 12.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -51.09 -22.82 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.352 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.47 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 83.2 m -113.69 -59.55 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 126.889 3.233 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.723 ' CG ' HD11 ' A' ' 32' ' ' LEU . 96.9 m-70 -105.34 147.38 28.23 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 118.138 -2.852 . . . . 0.0 115.082 -163.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.5 p -110.62 102.43 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.38 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.791 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.7 p -50.57 -46.56 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -50.38 164.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.534 ' HD3' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -89.36 178.91 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.12 54.1 3.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.68 148.34 19.21 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.33 21.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.566 1.824 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 34.5 m-70 70.53 133.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -117.67 -96.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 92.8 t -89.72 -23.94 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.68 167.81 25.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.5 36.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 3.7 t-20 -61.26 148.35 41.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.723 HD11 ' CG ' ' A' ' 18' ' ' HIS . 14.0 mt -116.69 32.85 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CE1' ' HD3' ' A' ' 22' ' ' LYS . 12.3 t-80 -70.17 112.67 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' N ' ' OG ' ' A' ' 102' ' ' SER . . . 45.61 89.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -112.08 -32.24 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' N ' HG12 ' A' ' 35' ' ' ILE . 47.1 m-85 -61.89 74.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 156.21 -22.57 0.51 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 11.0 mmt85 -94.35 171.75 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -97.77 153.59 18.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.434 ' HB3' HG23 ' A' ' 57' ' ' VAL . 94.7 p -37.17 120.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.562 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 89.04 110.5 1.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.421 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 29.9 mt-30 -139.26 27.67 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -110.33 129.41 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -112.6 90.57 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.67 -46.49 1.0 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 10.9 t80 -74.9 123.64 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 0.801 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.445 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 60.1 p -59.27 132.81 55.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -107.98 -178.41 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -96.36 163.86 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.57 21.94 8.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -111.37 -50.78 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.4 t-20 -66.68 -70.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' ASN . 36.3 mt -39.35 -33.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' ASN . 15.4 mmtp -86.57 46.39 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' HA ' ' CE ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -141.49 -47.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 56.97 85.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.904 HG11 ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -129.83 101.31 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.2 tp -62.94 78.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' LEU . 56.2 m95 -32.31 133.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 107.992 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -122.81 -72.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -163.4 -70.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -70.32 -29.78 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 65' ' ' SER . 3.1 t30 -47.07 -72.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 33.3 ttm -39.77 -28.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.511 ' HB2' HD11 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -64.34 -51.97 60.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.652 ' O ' HG22 ' A' ' 69' ' ' THR . 2.7 tp10 -47.05 -48.01 22.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.904 ' OH ' HG11 ' A' ' 57' ' ' VAL . 25.0 m-85 -75.08 -45.91 38.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 68' ' ' LEU . 9.9 mt -48.77 -24.69 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -95.86 -28.22 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' TYR . 10.8 t-20 -146.85 71.03 12.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tttp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.792 ' CD2' ' CE1' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -60.02 -50.46 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.962 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.2 mt -94.11 111.82 54.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.433 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.02 108.77 2.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.33 53.27 3.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 78' ' ' THR . 5.6 t -91.46 108.43 19.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -46.78 -25.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.412 ' N ' ' C ' ' A' ' 78' ' ' THR . 16.0 ttt -57.84 91.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.01 81.59 8.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -120.08 134.13 55.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -48.57 -60.35 5.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.42 118.77 2.75 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 mt -56.66 -167.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -170.34 -39.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 6.9 mmmm -73.7 92.77 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -34.67 -61.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -57.39 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.46 -35.47 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.651 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.1 mtm180 -73.21 -39.62 65.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -62.6 -46.98 85.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 96' ' ' THR . 17.1 m-20 -53.72 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.003 HD22 HD22 ' A' ' 9' ' ' LEU . 12.7 tp -46.56 -65.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 91' ' ' ARG . 19.2 mt -40.27 -31.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.469 HG22 ' CB ' ' A' ' 2' ' ' SER . 0.6 OUTLIER -79.48 -50.79 10.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.652 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 46.5 t80 -64.1 -48.32 76.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.549 HD13 ' HG ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -52.41 -48.95 65.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -45.61 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -74.38 -48.34 28.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.791 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -51.04 -43.42 60.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.368 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -66.69 -24.01 66.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.474 ' CG ' ' O ' ' A' ' -3' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.499 0.19 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . 0.422 ' HB2' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -60.65 123.79 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 1' ' ' GLY . . . -81.98 153.54 26.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.521 ' HA2' HG21 ' A' ' 96' ' ' THR . . . 39.23 93.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.61 ' HG ' ' N ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -128.98 42.21 3.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.006 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' SER . . . -37.91 102.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 1.5 mttp -154.03 43.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 88.38 54.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.95 -41.73 4.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.653 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -54.95 -55.39 31.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -18.36 16.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.741 HD22 ' CD2' ' A' ' 94' ' ' LEU . 2.8 tt -70.25 -76.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 62.8 t80 -40.37 -44.59 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.2 tppt? -40.05 -35.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.7 p -126.2 154.09 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 73.31 10.42 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.1 m -153.98 -68.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.69 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -41.16 -45.55 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -39.08 -29.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.532 ' SG ' HG11 ' A' ' 28' ' ' VAL . 72.3 m -106.42 -56.31 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 126.842 3.211 . . . . 0.0 108.266 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -104.29 175.96 5.31 Favored 'General case' 0 C--N 1.381 1.968 0 O-C-N 118.179 -2.826 . . . . 0.0 115.091 -163.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.473 HG23 ' CG ' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -142.19 141.85 32.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.378 -179.392 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG21 ' HB1' ' A' ' 101' ' ' ALA . 2.1 p -93.94 -40.42 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.03 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 1.7 tttm -105.34 155.83 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.85 -38.28 3.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' ND2' ' A' ' 31' ' ' ASN . . . -37.69 135.03 0.99 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.58 7.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 27.6 m-70 -93.6 133.12 37.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.633 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -119.8 -99.22 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.532 HG11 ' SG ' ' A' ' 17' ' ' CYS . 76.6 t -94.38 -24.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.59 158.14 25.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.01 145.61 31.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.473 ' CG ' HG23 ' A' ' 19' ' ' THR . 0.5 OUTLIER -57.17 128.25 36.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HB3' HD12 ' A' ' 35' ' ' ILE . 35.9 mt -84.04 -63.4 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 0.8 OUTLIER 70.15 -131.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.574 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -93.78 60.69 2.05 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.63 -147.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' A' ' 35' ' ' ILE . 62.6 m-85 57.05 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.07 29.88 5.62 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 8.7 mmt-85 -150.78 -176.38 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' OD1' ' A' ' 56' ' ' ASN . 1.5 m170 -105.17 163.48 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.741 ' HB3' HG12 ' A' ' 57' ' ' VAL . 78.9 p -47.95 130.71 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.564 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 91.39 85.67 1.45 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 37.5 mt-30 -103.88 27.48 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 0.795 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.56 131.58 8.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -95.86 -48.52 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.22 -46.67 8.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.6 t80 -69.11 133.74 48.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 0.738 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 p -77.77 119.22 20.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.564 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 6.1 m-85 -99.86 -173.81 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.1 p -115.03 -153.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.38 22.32 12.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.1 -64.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LYS . 20.9 t30 -58.53 -72.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ASN . 19.9 mt -40.03 -38.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -87.11 46.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' ASN . 11.6 tptt -139.79 -48.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.583 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 65.88 34.48 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.741 HG12 ' HB3' ' A' ' 40' ' ' SER . 3.2 p -68.18 92.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.549 HD13 ' NE2' ' A' ' 39' ' ' HIS . 6.9 tp -57.61 114.35 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.44 ' CZ2' HG13 ' A' ' 57' ' ' VAL . 56.9 m95 -78.15 127.77 32.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -140.07 -65.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 3.0 tt0 -168.35 -72.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -57.91 -64.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.736 HD21 HG22 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -40.19 -58.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.803 ' SD ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -37.81 -34.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.622 ' OG ' HD11 ' A' ' 95' ' ' ILE . 2.7 t -81.72 -45.35 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.543 ' OE2' ' CD1' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -46.48 -24.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.797 ' CE1' HD12 ' A' ' 75' ' ' ILE . 56.5 t80 -93.65 -59.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.803 HD11 ' SD ' ' A' ' 64' ' ' MET . 33.0 mt -41.56 -43.47 2.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 70' ' ' ASN . 15.3 t -59.37 -49.86 76.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.419 ' N ' ' CG2' ' A' ' 69' ' ' THR . 1.0 OUTLIER -139.73 76.26 29.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tttm . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CD1' ' OE2' ' A' ' 66' ' ' GLU . 19.4 t80 -40.11 -46.89 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.797 HD12 ' CE1' ' A' ' 67' ' ' TYR . 73.5 mt -114.59 92.3 28.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 82.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.05 44.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.52 ' HB ' HG22 ' A' ' 75' ' ' ILE . 7.1 t -112.54 114.88 27.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.428 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -23.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.7 ttt -60.1 92.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.2 76.77 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CE1' ' O ' ' A' ' 83' ' ' GLY . 16.8 t80 -105.72 145.81 30.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.452 ' O ' ' CE1' ' A' ' 82' ' ' PHE . . . -72.06 99.93 0.9 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -37.53 104.36 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.97 -170.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -169.58 -42.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -54.86 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.8 pt-20 -38.26 -59.73 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.356 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ASN . 5.9 mttp -43.42 -59.72 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.09 -32.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' GLU . 9.6 mtm180 -89.2 -40.05 13.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' -2' ' ' LYS . 97.9 m-20 -49.06 -46.67 44.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.61 ' N ' ' HG ' ' A' ' 2' ' ' SER . 0.4 OUTLIER -70.41 -58.53 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.741 ' CD2' HD22 ' A' ' 9' ' ' LEU . 3.3 tp -42.72 -69.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.622 HD11 ' OG ' ' A' ' 65' ' ' SER . 9.3 mt -41.96 -28.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.521 HG21 ' HA2' ' A' ' 1' ' ' GLY . 0.3 OUTLIER -81.33 -45.66 15.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.653 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 54.3 t80 -72.71 -47.18 49.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -45.02 -47.66 11.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -66.1 -33.58 76.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -67.79 -55.99 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.401 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -65.73 -44.48 85.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 75.4 m -60.36 -32.86 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.469 0.176 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 100.81 12.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -40.53 156.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -127.65 -110.26 1.59 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -167.62 153.3 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.93 176.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.77 77.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.04 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.37 -37.85 6.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -41.4 -68.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -29.22 27.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.709 HD11 ' OD2' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -67.03 -76.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 82.8 t80 -39.3 -43.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HA ' HD22 ' A' ' 15' ' ' LEU . 3.3 ttmt -40.15 -38.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' LEU . 68.7 p -124.95 151.99 44.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 10.1 mmt180 75.88 13.83 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 13' ' ' ARG . 3.3 m -156.49 -66.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.351 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.573 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.9 tp -41.75 -40.9 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -41.95 -27.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.459 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 61.6 m -113.23 -61.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 126.916 3.246 . . . . 0.0 108.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.543 ' CE1' HD21 ' A' ' 32' ' ' LEU . 94.9 m-70 -96.97 157.75 15.75 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 118.14 -2.85 . . . . 0.0 115.124 -163.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.414 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 25.0 p -113.99 119.79 38.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 111.131 -2.758 . . . . 0.0 110.352 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.571 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 2.3 p -67.55 -36.59 76.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -78.13 -154.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 3.1 tttt -120.63 -42.53 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.98 63.84 0.35 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -151.98 126.58 2.08 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.56 8.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.552 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 40.8 m-70 -39.86 132.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.37 -98.86 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 56.2 t -91.79 -24.65 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.92 161.19 25.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 159.03 42.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 3.4 t-20 -61.88 146.66 49.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 18' ' ' HIS . 8.4 mt -111.74 36.37 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -65.4 94.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.56 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.77 93.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.726 HD13 ' H ' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -106.56 -36.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 14.6 m-85 -60.55 75.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 160.52 -25.19 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 10.4 mmt180 -96.22 172.37 8.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -100.71 155.48 17.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' HG23 ' A' ' 57' ' ' VAL . 88.3 p -37.82 119.64 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 89.91 110.89 1.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 36.6 mt-30 -137.27 23.25 2.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.615 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -136.15 127.36 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -100.19 -54.62 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.64 -42.78 20.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.552 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 19.2 t80 -89.69 121.94 32.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 p -61.17 137.98 58.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.615 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -109.17 -176.08 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -97.82 161.44 13.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.3 20.15 6.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.16 -56.37 2.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 43.7 t30 -63.71 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.1 mt -41.05 -35.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -87.01 46.81 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -139.26 -51.39 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.87 86.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -133.43 103.57 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.0 OUTLIER -62.41 79.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.552 ' CE3' ' CE ' ' A' ' 64' ' ' MET . 57.8 m95 -33.98 123.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.574 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -121.34 -66.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.544 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 15.4 tt0 179.21 -36.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.7 -62.24 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.423 ' CG ' ' N ' ' A' ' 64' ' ' MET . 5.7 p-10 -41.07 -40.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.577 ' HG2' HD11 ' A' ' 68' ' ' LEU . 4.0 ttm -64.1 -59.45 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.474 ' HB2' HD11 ' A' ' 95' ' ' ILE . 53.8 p -46.08 -42.23 13.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 69' ' ' THR . 10.7 tt0 -56.73 -35.81 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.653 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 6.6 t80 -83.92 -47.23 11.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.577 HD11 ' HG2' ' A' ' 64' ' ' MET . 82.0 mt -43.45 -42.92 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 66' ' ' GLU . 4.7 t -71.63 -44.53 64.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -126.26 73.75 72.63 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.653 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.442 ' OH ' HG11 ' A' ' 57' ' ' VAL . 25.5 t80 -38.03 -49.72 1.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.417 ' CD1' ' HG3' ' A' ' 55' ' ' LYS . 21.9 mm -104.84 112.44 65.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 96.57 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.55 50.38 1.31 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.7 t -90.99 113.22 25.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 110.376 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -20.84 24.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.2 ttt -67.59 97.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.62 76.9 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -114.05 146.48 40.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.87 104.67 2.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.53 118.11 1.34 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 7.7 mt -66.25 -50.72 62.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER 51.5 31.36 7.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.499 ' N ' ' HE ' ' A' ' 91' ' ' ARG . 29.6 mmtt -127.45 86.02 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 2.4 mt-10 -38.41 -32.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -51.91 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.709 ' OD2' HD11 ' A' ' 9' ' ' LEU . 4.1 m-20 -67.91 -55.64 12.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.499 ' HE ' ' N ' ' A' ' 87' ' ' LYS . 30.4 mtm180 -38.97 -48.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 78.8 m-20 -60.08 -56.85 16.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' HB ' ' A' ' 96' ' ' THR . 85.4 m-20 -49.63 -55.2 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.494 HD13 HD22 ' A' ' 9' ' ' LEU . 9.1 tp -46.34 -67.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 65' ' ' SER . 20.2 mt -40.47 -52.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -44.08 -50.61 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.823 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 9.8 t80 -76.13 -46.99 26.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.607 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -43.45 -52.66 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -40.8 -48.72 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -78.11 -46.44 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.823 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -46.98 -49.57 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.4 p -81.77 -30.74 32.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' -2' ' ' LYS . 4.1 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.515 0.198 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . 0.531 ' O ' ' CE1' ' A' ' -3' ' ' PHE . 0.0 OUTLIER -112.32 168.68 9.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -67.23 160.78 26.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 96' ' ' THR . . . -123.43 100.8 0.67 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.535 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 1.9 t -39.27 -34.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 73.71 46.12 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.69 14.22 11.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.449 ' NZ ' ' OD2' ' A' ' 93' ' ' ASP . 9.3 pttp -177.2 43.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.23 -51.64 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.18 -63.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.58 -22.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.068 HD22 HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -67.23 -77.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.85 ' CD2' HD13 ' A' ' 15' ' ' LEU . 10.8 t80 -41.22 -37.0 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -51.75 -38.8 56.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -126.79 128.26 46.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.591 ' CB ' ' O ' ' A' ' 12' ' ' THR . 2.5 mmt180 91.2 16.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 84.1 m -157.54 -74.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.85 HD13 ' CD2' ' A' ' 10' ' ' PHE . 1.2 tp -44.43 -42.11 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -38.86 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.468 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 86.0 m -110.92 -57.17 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 126.8 3.191 . . . . 0.0 108.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.485 ' CD2' HD11 ' A' ' 32' ' ' LEU . 97.8 m-70 -103.9 176.19 5.23 Favored 'General case' 0 C--N 1.381 1.938 0 O-C-N 118.179 -2.826 . . . . 0.0 115.077 -163.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.695 HG23 ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -144.19 122.98 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.419 -179.393 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.839 HG21 ' HB1' ' A' ' 101' ' ' ALA . 8.7 p -78.61 -38.45 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.2 mt-10 -42.86 165.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 52.0 tttt -72.4 -76.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.12 58.61 0.57 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.52 124.22 8.17 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.63 15.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 46' ' ' TYR . 43.9 m-70 -63.06 124.45 21.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -110.0 -102.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 78.3 t -81.6 -24.64 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.17 174.78 25.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.97 154.04 42.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.695 ' OD1' HG23 ' A' ' 19' ' ' THR . 0.8 OUTLIER -53.63 153.63 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 18' ' ' HIS . 74.9 mt -121.49 46.55 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -60.08 -128.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.39 58.34 4.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -68.8 -37.27 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.584 0.814 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 13.7 m-85 -60.82 76.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 149.0 -17.93 1.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -94.88 -177.02 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -112.25 155.66 23.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.601 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.674 ' HB3' HG12 ' A' ' 57' ' ' VAL . 94.2 p -38.87 126.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 79.67 108.5 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -136.44 10.1 3.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' A' ' 48' ' ' TYR . . . -100.03 142.02 32.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.61 -72.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.98 -35.5 32.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.469 1.105 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 2.5 t80 -78.98 129.65 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 p -72.23 -26.05 61.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.2 OUTLIER 64.9 -170.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.3 p -98.78 149.3 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.46 14.76 12.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -108.15 -40.81 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -79.08 -51.28 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.542 HD11 ' CB ' ' A' ' 48' ' ' TYR . 70.6 mt -52.98 -39.99 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.242 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -86.56 46.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -137.76 -46.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.599 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 76.8 32.39 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.674 HG12 ' HB3' ' A' ' 40' ' ' SER . 3.4 p -71.22 91.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.568 HD12 ' CG ' ' A' ' 39' ' ' HIS . 4.9 tp -67.38 96.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 22.3 m95 -59.1 145.19 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 1.3 t0 -145.98 -61.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HG2' HG23 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -178.73 -77.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -61.04 -37.7 83.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.438 HD21 ' CG2' ' A' ' 57' ' ' VAL . 10.3 t30 -53.29 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.561 ' SD ' HD11 ' A' ' 68' ' ' LEU . 2.3 ttm -36.67 -50.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.798 ' OG ' HD11 ' A' ' 95' ' ' ILE . 14.4 t -42.07 -50.19 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 69' ' ' THR . 15.7 tt0 -57.57 -41.12 80.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.599 ' CD1' HD12 ' A' ' 75' ' ' ILE . 3.3 t80 -75.34 -26.85 58.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.561 HD11 ' SD ' ' A' ' 64' ' ' MET . 94.5 mt -65.45 -46.69 78.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 66' ' ' GLU . 3.4 t -68.08 -43.14 79.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -129.43 71.29 82.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CD2' HG13 ' A' ' 75' ' ' ILE . 87.7 t80 -37.49 -52.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 67' ' ' TYR . 9.6 mt -111.28 107.41 57.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 85.07 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 130.9 42.14 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.1 t -98.87 113.54 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -62.02 -14.4 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.4 ttt -59.98 94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.11 64.46 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -105.43 144.74 31.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.31 104.01 1.99 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 69' ' ' THR . . . -42.72 113.07 0.56 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.58 -171.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -162.72 -51.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -54.23 90.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -44.32 -27.15 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -69.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.538 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.3 m-20 -57.86 -49.27 77.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.734 ' O ' HD12 ' A' ' 95' ' ' ILE . 61.5 mtp180 -44.19 -41.29 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' -2' ' ' LYS . 78.4 m-20 -72.99 -63.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.449 ' OD2' ' NZ ' ' A' ' 5' ' ' LYS . 68.8 m-20 -42.1 -48.55 4.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.068 HD13 HD22 ' A' ' 9' ' ' LEU . 9.5 tp -56.71 -69.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.798 HD11 ' OG ' ' A' ' 65' ' ' SER . 18.4 mt -39.71 -50.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.459 ' CB ' ' HA3' ' A' ' 1' ' ' GLY . 0.7 OUTLIER -45.2 -49.84 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 10.8 t80 -76.95 -47.64 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -54.39 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 103' ' ' GLU . 7.5 tmtt? -47.53 -43.99 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -71.35 -50.1 35.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.839 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -52.73 -54.33 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 t -73.5 -26.75 61.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' LYS . 18.7 pt-20 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.502 0.191 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 131.0 35.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.39 155.09 24.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -109.39 -26.14 5.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 86.09 -72.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 110.008 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . -179.98 -169.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.29 50.28 16.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -176.06 -39.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.82 -34.17 7.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.75 -61.61 2.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -23.03 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.964 HD22 HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -70.55 -79.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 67.5 t80 -38.76 -44.54 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -39.6 -35.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.6 p -128.71 150.47 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 75.54 9.07 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.66 -65.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.491 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.8 mp -43.8 -38.19 3.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -45.99 -25.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.467 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 84.1 m -120.01 -60.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 126.829 3.204 . . . . 0.0 108.305 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.508 ' CD2' HD11 ' A' ' 32' ' ' LEU . 97.7 m-70 -100.2 153.06 19.57 Favored 'General case' 0 C--N 1.381 1.937 0 O-C-N 118.121 -2.862 . . . . 0.0 115.129 -163.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.448 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 19.0 p -123.72 93.56 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 111.116 -2.766 . . . . 0.0 110.357 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.682 HG23 ' HB1' ' A' ' 101' ' ' ALA . 7.7 p -53.77 -35.82 28.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -39.14 159.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 7.4 ttmm -65.84 -76.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.63 55.06 2.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.53 121.74 6.35 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 108.07 2.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 35.2 m-70 -39.24 132.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -116.69 -101.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 53.7 t -78.4 -26.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.67 -178.79 18.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 166.86 28.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -68.24 156.0 38.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD11 ' CD2' ' A' ' 18' ' ' HIS . 59.9 mt -127.64 48.67 2.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 102' ' ' SER . 0.9 OUTLIER -60.67 -126.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.582 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.471 ' CA ' ' HB3' ' A' ' 102' ' ' SER . . . -82.45 56.48 5.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -59.08 -158.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.626 ' CE1' ' HE2' ' A' ' 64' ' ' MET . 25.6 m-85 56.98 116.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.1 22.72 5.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 16.4 mmt85 -148.39 -174.92 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' NE2' HD13 ' A' ' 58' ' ' LEU . 2.4 m170 -102.16 152.12 21.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.584 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.651 ' HB3' HG12 ' A' ' 57' ' ' VAL . 4.6 p -38.77 117.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.576 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 106.78 94.25 2.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 65.0 mt-30 -114.77 33.09 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.582 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -150.55 126.49 10.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.06 -55.76 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.64 -41.26 34.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 20.4 t80 -83.52 122.81 29.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 0.794 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.8 p -63.94 141.24 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.582 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 2.1 m-85 -116.32 -176.02 2.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -98.74 176.52 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.53 21.73 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.53 -55.41 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' LYS . 51.9 t30 -60.69 -68.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -40.47 -38.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -86.99 46.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -133.63 -46.75 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.4 23.93 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.651 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.6 p -63.85 91.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.468 HD13 ' NE2' ' A' ' 39' ' ' HIS . 4.2 tp -67.49 93.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 41.5 m95 -54.03 115.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 107.957 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.28 -64.21 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.525 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 25.0 tt0 -178.44 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 65' ' ' SER . 1.3 m-80 -98.27 -60.36 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 64' ' ' MET . 6.7 p-10 -39.78 -33.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.626 ' HE2' ' CE1' ' A' ' 36' ' ' PHE . 4.0 tpp -73.72 -49.36 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.727 ' HB2' HD11 ' A' ' 95' ' ' ILE . 60.2 p -55.17 -42.8 73.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 69' ' ' THR . 0.0 OUTLIER -59.98 -31.8 70.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.658 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 2.6 t80 -81.67 -48.96 11.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' TYR . 73.6 mt -40.51 -42.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 66' ' ' GLU . 6.1 t -74.98 -40.4 60.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' TYR . 12.0 t-20 -128.14 72.68 79.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.658 ' HA ' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -42.07 -53.4 3.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.484 HD12 ' CE2' ' A' ' 67' ' ' TYR . 67.9 mt -109.83 100.36 42.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 107.36 2.47 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 35.88 2.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.43 1.081 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.457 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.2 t -95.62 115.43 27.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -18.93 16.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.9 ttt -57.3 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.93 71.78 10.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 4.2 t80 -109.54 -55.65 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' THR . . . 103.14 -54.31 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 111.97 152.66 11.98 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.3 mt -71.14 -108.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 4.5 mtmt 164.79 -48.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -75.03 100.18 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 91' ' ' ARG . 2.7 mt-10 -53.89 -28.33 35.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -47.15 -61.06 2.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' HB3' HD11 ' A' ' 9' ' ' LEU . 4.6 m-20 -61.32 -40.84 95.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 88' ' ' GLU . 8.8 mtm180 -56.52 -41.21 76.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.48 -44.74 89.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 96' ' ' THR . 52.0 m-20 -61.71 -52.05 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.964 HD12 HD22 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -60.41 -57.57 12.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.727 HD11 ' HB2' ' A' ' 65' ' ' SER . 42.1 mt -39.63 -37.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -61.73 -50.25 73.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 110.388 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 94' ' ' LEU . 20.3 t80 -77.59 -36.69 51.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.656 HD23 HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -65.94 -31.7 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.486 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 21.8 tttm -34.41 -37.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.644 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -126.0 -60.53 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.682 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . 80.61 -14.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 16.6 p -85.57 -43.65 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 110.03 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 1.015 ' CE2' ' HB2' ' A' ' -1' ' ' ALA . 1.3 t80 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.486 0.184 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' -1' ' ' ALA . 2.8 mmtt -90.55 34.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . 1.015 ' HB2' ' CE2' ' A' ' -3' ' ' PHE . . . -37.12 154.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . 96.84 124.17 4.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER 157.69 93.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 0.0 110.062 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.35 63.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 2' ' ' SER . 24.3 tttt -103.93 -136.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 56.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.15 -46.84 2.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 97' ' ' TYR . . . -63.46 -61.08 2.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -21.4 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.655 HD13 HD23 ' A' ' 94' ' ' LEU . 2.6 tt -65.16 -77.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CD2' HD13 ' A' ' 15' ' ' LEU . 17.1 t80 -45.57 -34.02 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.63 -43.59 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.606 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -125.28 128.19 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.606 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.1 OUTLIER 92.92 16.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 10' ' ' PHE . 63.2 m -155.82 -71.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' A' ' 10' ' ' PHE . 1.4 tp -45.19 -39.08 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -41.88 -27.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.495 ' SG ' HG11 ' A' ' 28' ' ' VAL . 73.0 m -110.54 -58.61 2.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 126.83 3.205 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -102.9 160.76 14.32 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 118.165 -2.834 . . . . 0.0 115.077 -163.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.443 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 12.2 p -123.33 115.13 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 111.071 -2.786 . . . . 0.0 110.423 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.819 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.7 p -65.52 -32.35 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.76 -179.79 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 7.0 tttt -101.08 -51.82 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.91 60.42 3.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.23 127.88 5.44 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.3 9.22 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.518 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 33.2 m-70 -45.37 133.98 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -114.15 -102.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.495 HG11 ' SG ' ' A' ' 17' ' ' CYS . 55.6 t -81.07 -24.67 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.14 178.7 20.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 165.39 31.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.443 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 2.3 m120 -81.19 119.62 23.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' HB3' HD12 ' A' ' 35' ' ' ILE . 80.0 mt -69.51 -66.27 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.52 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.9 OUTLIER 73.09 -129.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.559 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' A' ' 33' ' ' HIS . . . -98.55 61.62 0.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.494 HG13 ' HE1' ' A' ' 64' ' ' MET . 0.1 OUTLIER -62.55 -139.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 61' ' ' GLU . 20.3 m-85 49.59 100.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 120.45 -26.23 7.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.432 1.082 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 9.2 mmt180 -93.37 170.82 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.514 ' CE1' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -94.31 151.47 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.634 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' HIS . 93.1 p -37.55 134.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 82.93 95.86 0.55 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 77.2 mt-30 -119.44 29.25 7.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.417 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -130.11 127.92 40.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -110.33 100.98 9.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 136.9 -51.69 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.518 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 11.3 t80 -65.23 124.19 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.47 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 11.8 p -55.71 130.66 44.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.532 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -109.27 -179.28 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -100.87 167.68 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.19 22.52 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -112.84 -56.06 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 53' ' ' ILE . 4.9 t-20 -60.75 -77.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 48' ' ' TYR . 14.4 mt -39.46 -33.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -85.57 45.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -145.92 -47.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 54.85 89.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.714 HG11 ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -128.87 102.43 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.6 tp -63.1 78.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.602 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 60.1 m95 -32.29 133.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.19 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.48 ' O ' HG21 ' A' ' 95' ' ' ILE . 29.0 tt0 175.65 -34.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -96.04 -59.11 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.594 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 25.8 p-10 -45.76 -47.78 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.602 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 16.8 tpp -45.03 -35.76 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.513 ' CB ' HD11 ' A' ' 95' ' ' ILE . 14.5 p -68.95 -49.79 54.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.587 ' O ' HG22 ' A' ' 69' ' ' THR . 2.0 tt0 -36.95 -43.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.714 ' OH ' HG11 ' A' ' 57' ' ' VAL . 8.7 m-85 -79.41 -52.04 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.5 mt -42.15 -29.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 66' ' ' GLU . 7.6 t -91.42 -37.87 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' TYR . 9.1 t-20 -131.84 67.52 79.63 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -62.73 -42.95 99.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.433 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 54.5 mt -99.95 108.78 53.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.1 Cg_endo -75.02 108.56 2.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.793 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.9 55.77 3.48 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 78' ' ' THR . 14.2 t -94.5 107.56 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -40.14 -30.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.452 ' N ' ' C ' ' A' ' 78' ' ' THR . 19.0 ttt -60.05 88.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.86 67.1 8.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 22.1 t80 -97.08 143.49 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -47.95 -78.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 136.7 108.45 0.9 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.61 ' CD1' HD21 ' A' ' 9' ' ' LEU . 6.5 mt -86.2 130.94 34.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 50.73 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' LYS . 26.9 mmtt -132.63 85.54 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -38.79 -29.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -54.2 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' ASP . 5.4 m-20 -63.15 -53.07 59.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.477 ' O ' HD12 ' A' ' 95' ' ' ILE . 56.6 mtp180 -41.0 -44.02 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.13 -45.12 94.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 96' ' ' THR . 1.0 OUTLIER -68.01 -53.54 25.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.78 ' CD1' HD12 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -40.51 -73.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.513 HD11 ' CB ' ' A' ' 65' ' ' SER . 11.2 mt -39.38 -31.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -78.23 -50.11 12.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.415 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 7' ' ' ALA . 90.9 t80 -63.53 -40.5 97.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.78 HD12 ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -63.97 -50.62 67.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -32.88 3.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 103' ' ' GLU . 12.0 tptp -82.91 -61.72 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.819 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -45.66 -57.13 4.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 33' ' ' HIS . 1.2 m -49.2 -26.7 3.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 100' ' ' LYS . 16.5 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.59 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 2.3 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.541 0.21 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . 0.422 ' HG2' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -63.57 124.46 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.15 155.75 27.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -113.46 -130.32 5.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -172.44 -75.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.97 35.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -146.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 58.09 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.94 -51.49 1.77 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.436 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -52.28 -62.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.5 -21.47 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.1 HD22 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -70.75 -76.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.674 ' CD2' ' CD1' ' A' ' 15' ' ' LEU . 35.3 t80 -47.49 -22.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -75.45 -38.24 59.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -118.54 125.07 49.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 110.36 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER 84.76 22.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.5 m -157.77 -71.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.674 ' CD1' ' CD2' ' A' ' 10' ' ' PHE . 1.3 mp -45.57 -36.56 4.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -46.9 -24.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.468 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 75.7 m -112.07 -58.24 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 126.865 3.222 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -105.43 158.29 16.75 Favored 'General case' 0 C--N 1.382 1.981 0 O-C-N 118.121 -2.862 . . . . 0.0 115.081 -163.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 12.1 p -131.27 124.19 29.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 111.074 -2.785 . . . . 0.0 110.38 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.0 -39.87 58.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.5 mt-10 -45.2 168.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 33' ' ' HIS . 1.9 ttmt -86.97 -57.08 3.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.1 59.76 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.81 124.18 5.94 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.8 19.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.59 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 31.6 m-70 -57.42 139.31 53.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.534 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -129.98 -94.69 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 99.6 t -95.6 -30.91 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.67 157.11 22.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -75.04 133.57 16.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.4 m120 -47.28 121.11 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' HB3' HG21 ' A' ' 35' ' ' ILE . 13.9 mt -79.53 -66.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.418 ' NE2' ' HE3' ' A' ' 22' ' ' LYS . 1.3 t-80 74.74 -136.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -87.73 59.31 4.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.32 -146.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CD2' HG12 ' A' ' 35' ' ' ILE . 51.2 m-85 56.98 114.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.041 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.63 -32.74 5.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 9.3 mmt180 -90.5 170.75 9.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.458 ' CE1' HD13 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.94 152.59 18.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.413 ' HB3' HG23 ' A' ' 57' ' ' VAL . 95.6 p -38.15 137.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.554 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 82.88 91.67 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 66.9 mt-30 -116.37 27.32 9.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.16 130.55 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -96.19 -42.61 8.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.65 -46.78 24.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.59 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -71.93 130.46 41.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 0.788 . . . . 0.0 111.027 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -75.29 113.57 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 4.6 m-85 -91.28 176.13 6.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.5 p -107.46 -170.0 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.03 22.91 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.38 -51.24 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 53' ' ' ILE . 6.0 t-20 -63.65 -79.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.431 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 29.9 mt -39.57 -33.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 52' ' ' ASN . 12.3 mmtp -86.03 46.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -140.35 -51.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 55.47 84.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.489 HG11 ' OH ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -128.63 102.76 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.508 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.6 tp -62.56 79.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 58.9 m95 -34.31 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -141.88 -68.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE2' ' CD2' ' A' ' -3' ' ' PHE . 0.5 OUTLIER -177.09 -57.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.17 -46.33 20.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -44.64 -55.96 4.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.579 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 16.8 tpp -51.91 -49.44 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.744 ' HB2' HD11 ' A' ' 95' ' ' ILE . 9.7 p -43.89 -43.13 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.63 -52.95 62.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 1.175 ' CE1' HD12 ' A' ' 75' ' ' ILE . 7.0 t80 -53.16 -55.73 21.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.3 mt -52.38 -37.72 57.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -50.37 74.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -141.11 76.85 21.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.489 ' OH ' HG11 ' A' ' 57' ' ' VAL . 17.5 t80 -37.58 -50.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 1.175 HD12 ' CE1' ' A' ' 67' ' ' TYR . 62.5 mt -114.75 91.85 27.36 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.72 2.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.0 42.44 1.53 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.533 ' HB ' HG22 ' A' ' 75' ' ' ILE . 7.4 t -110.71 114.97 28.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -48.57 -24.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 78' ' ' THR . 20.8 ttt -58.07 89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.7 65.92 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -87.44 -58.45 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 126.66 -70.28 0.5 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.98 125.07 4.51 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.14 173.78 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -143.54 45.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.9 mmmp? -132.84 92.05 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 5.8 mt-10 -38.04 -34.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -50.21 -69.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.405 ' CG ' HD11 ' A' ' 9' ' ' LEU . 4.9 m-20 -65.43 -56.3 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.779 ' O ' HD12 ' A' ' 95' ' ' ILE . 55.8 mtm180 -38.83 -47.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 91.3 m-20 -68.55 -54.13 18.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -48.96 -49.79 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.1 HD13 HD22 ' A' ' 9' ' ' LEU . 6.6 tp -46.57 -71.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 91' ' ' ARG . 4.0 mt -39.59 -44.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.86 -51.1 70.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 56.1 t80 -70.03 -46.06 65.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -47.96 -50.65 26.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -63.76 -26.56 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' TYR . 6.8 ttpp -77.11 -63.06 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.89 82.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 50.0 m -66.26 -28.74 68.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.589 ' CG ' ' N ' ' A' ' -2' ' ' LYS . 9.6 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.52 0.2 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . 0.589 ' N ' ' CG ' ' A' ' -3' ' ' PHE . 31.3 ttmt -161.4 136.91 7.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -40.12 154.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -128.62 -142.27 5.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 91.39 6.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.56 44.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.15 6.72 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -161.18 -103.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.571 ' O ' ' CD2' ' A' ' 97' ' ' TYR . . . 113.15 30.15 2.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -159.73 -46.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.42 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.011 HD22 HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -89.0 -73.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.447 ' C ' ' N ' ' A' ' 12' ' ' THR . 55.5 t80 -38.87 -43.64 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -39.48 -30.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 10' ' ' PHE . 67.7 p -133.78 154.32 51.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 75.51 9.15 3.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.1 -62.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 108.326 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.91 -39.04 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -45.55 -25.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.465 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 81.4 m -118.08 -61.38 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 126.881 3.229 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -101.16 159.81 14.93 Favored 'General case' 0 C--N 1.381 1.964 0 O-C-N 118.129 -2.857 . . . . 0.0 115.103 -163.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 p -128.99 112.78 14.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 111.093 -2.776 . . . . 0.0 110.413 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.003 HG21 ' HB1' ' A' ' 101' ' ' ALA . 8.3 p -64.93 -22.2 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.7 OUTLIER -52.56 176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -98.18 -59.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 60.58 1.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.16 123.68 7.53 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.02 -9.02 20.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.437 1.756 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 30.8 m-70 85.21 134.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -114.62 -100.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 71.8 t -85.32 -24.04 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.09 171.6 23.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.41 33.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.5 m120 -80.52 118.85 22.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' GLY . 25.7 mt -61.19 -39.51 90.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 102' ' ' SER . 6.8 t60 -39.21 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 135.92 -27.36 3.05 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 36' ' ' PHE . 2.8 pp -60.08 -165.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 35' ' ' ILE . 4.1 m-30 57.25 81.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 150.47 -73.87 0.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 15.5 mmt180 -69.35 -162.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -107.28 172.57 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.601 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.436 ' HB3' HG23 ' A' ' 57' ' ' VAL . 63.1 p -40.53 137.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 81.64 90.66 0.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 24.2 mt-30 -121.37 28.13 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -113.84 139.14 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.13 45.81 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.28 41.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 11.4 t80 -165.83 127.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.556 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 85.3 p -61.44 135.6 57.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 1.1 m-85 -110.27 177.58 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -85.83 172.12 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.28 18.66 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.19 -43.33 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 12.1 t-20 -63.18 -78.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' ASN . 27.7 mt -38.82 -32.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 52' ' ' ASN . 59.2 mmtt -86.52 44.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' ASN . 14.5 tppt? -138.27 -56.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 73.69 83.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.492 ' CG1' ' OH ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -124.23 104.74 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.4 tp -61.65 80.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.492 ' C ' ' O ' ' A' ' 58' ' ' LEU . 56.6 m95 -35.64 111.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -117.84 -77.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 25.9 tt0 -175.51 -38.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.709 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -87.62 -48.06 8.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.447 ' CG ' ' N ' ' A' ' 64' ' ' MET . 7.5 p-10 -51.98 -42.86 63.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 30.2 ttm -52.87 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 23.2 t -41.82 -38.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.18 -44.69 83.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.828 ' CE1' HD12 ' A' ' 75' ' ' ILE . 7.6 t80 -79.27 -31.27 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 64' ' ' MET . 64.2 mt -64.04 -50.13 69.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.48 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 10.2 t -66.85 -45.54 77.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -126.11 73.56 71.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.503 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.489 1.783 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tptp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.492 ' OH ' ' CG1' ' A' ' 57' ' ' VAL . 1.6 t80 -38.68 -48.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.828 HD12 ' CE1' ' A' ' 67' ' ' TYR . 96.3 mt -113.83 107.05 53.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.33 2.46 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.39 31.45 6.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.7 t -77.21 110.7 12.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -47.73 -28.22 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.7 ttt -60.63 87.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.16 74.25 9.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.369 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 6.4 t80 -105.64 136.64 44.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -51.56 -58.21 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.546 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 129.9 127.15 2.89 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 91' ' ' ARG . 45.9 mt -60.84 -65.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 85.7 -65.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.2 mmpt? -59.0 95.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.1 pt-20 -34.01 -59.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 3.0 mtmt -40.45 -60.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.366 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.771 ' CG ' HD11 ' A' ' 9' ' ' LEU . 1.6 m-20 -48.06 -39.28 19.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.52 ' HA ' HD13 ' A' ' 85' ' ' LEU . 13.3 mtm180 -70.75 -39.23 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.36 -61.06 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.0 -49.49 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.011 HD23 HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -55.25 -66.91 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 61' ' ' GLU . 35.2 mt -49.05 -57.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -37.94 -54.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.382 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 44.8 t80 -72.87 -44.42 61.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.925 HD12 ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -49.8 -44.18 48.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -53.85 -20.05 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -111.94 -20.63 11.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.003 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -65.08 -59.18 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.934 ' OG ' HG22 ' A' ' 20' ' ' VAL . 1.2 m -168.46 49.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' SER . 7.3 pt-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.449 ' CG ' ' OE2' ' A' ' 61' ' ' GLU . 20.9 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.481 0.181 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.91 19.87 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 58.44 159.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -124.76 -40.36 0.42 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.21 146.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.996 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.84 62.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -130.11 10.14 5.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 6.4 tttt -177.13 41.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.11 -58.13 0.36 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.29 -67.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.05 -30.41 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.956 HD22 ' HG ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -68.3 -75.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 68.0 t80 -43.63 -24.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.597 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -73.1 -45.37 57.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -112.59 127.4 56.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.362 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 82.79 23.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 65.1 m -159.23 -68.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 108.249 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.6 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 tp -44.95 -35.03 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -46.08 -25.62 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.562 ' SG ' HG11 ' A' ' 28' ' ' VAL . 99.6 m -114.87 -59.46 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 126.883 3.23 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -103.03 158.09 16.53 Favored 'General case' 0 C--N 1.382 1.98 0 O-C-N 118.138 -2.851 . . . . 0.0 115.09 -163.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.797 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -124.45 127.6 47.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 111.104 -2.771 . . . . 0.0 110.412 -179.386 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.797 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.1 p -81.8 -28.92 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -48.15 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.4 ttmm -96.93 -64.76 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.89 57.61 3.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.63 134.02 10.36 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.19 13.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.467 1.772 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 32.2 m-70 -90.52 147.22 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.639 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -135.6 -93.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.562 HG11 ' SG ' ' A' ' 17' ' ' CYS . 65.1 t -98.35 -28.9 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.2 153.23 21.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 141.46 26.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.797 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.9 OUTLIER -49.71 137.01 16.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -103.0 19.73 18.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 16.1 t60 -82.89 61.0 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.64 48.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.6 pp -117.32 -162.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.696 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.3 m-85 58.11 110.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.87 2.0 55.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.48 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 5.8 mmt85 -118.93 -170.52 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.529 ' NE2' HD13 ' A' ' 58' ' ' LEU . 1.4 m170 -116.39 148.67 40.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.548 ' HB3' HG12 ' A' ' 57' ' ' VAL . 95.2 p -34.58 129.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.954 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.568 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 92.07 98.56 1.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.48 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 74.8 mt-30 -139.2 26.16 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.528 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -113.39 131.79 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.8 70.97 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.69 -37.09 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.584 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.1 t80 -69.97 129.79 40.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.7 p -75.05 119.95 19.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.568 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 4.9 m-85 -100.41 179.06 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.0 p -113.59 178.99 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.498 ' OD1' ' CE ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -92.43 24.15 3.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.73 ' HB1' ' CG2' ' A' ' 75' ' ' ILE . . . -106.44 -64.45 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 55' ' ' LYS . 54.1 t30 -62.41 -67.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 48' ' ' TYR . 15.3 mt -42.73 -39.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.498 ' CE ' ' OD1' ' A' ' 50' ' ' ASP . 34.1 mmtt -87.76 45.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -139.82 -55.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER 76.83 35.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 57' ' ' VAL . 8.7 p -68.33 95.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.529 HD13 ' NE2' ' A' ' 39' ' ' HIS . 3.8 tp -64.57 99.43 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CH2' HG11 ' A' ' 57' ' ' VAL . 40.9 m95 -61.19 130.11 44.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 108.032 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.599 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 12.0 t70 -144.36 -65.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.874 ' HG3' HG21 ' A' ' 95' ' ' ILE . 28.7 tt0 -171.31 -75.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -65.22 -43.99 89.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.522 HD21 HG22 ' A' ' 57' ' ' VAL . 16.7 t30 -57.09 -55.02 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.588 ' HE2' ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -56.01 -52.65 63.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.752 ' HB3' HD11 ' A' ' 95' ' ' ILE . 79.2 p -54.71 -43.62 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -52.82 -32.16 42.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.68 ' CE1' HD12 ' A' ' 75' ' ' ILE . 8.4 t80 -87.34 -51.27 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -41.85 -44.21 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 70' ' ' ASN . 5.0 t -66.73 -49.41 66.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 69' ' ' THR . 12.8 t-20 -126.32 74.47 73.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.557 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -40.75 -55.15 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.73 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 64.7 mt -109.67 100.33 41.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.88 3.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.9 44.12 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 78' ' ' THR . 11.1 t -106.69 110.45 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 0.771 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -29.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.445 ' N ' ' C ' ' A' ' 78' ' ' THR . 21.9 ttt -57.58 90.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.76 83.32 4.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 11.6 t80 -115.38 138.12 51.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.68 -64.04 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 119.64 111.38 2.36 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.74 104.06 10.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -92.04 37.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -132.86 85.04 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -39.03 -36.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.45 -43.4 83.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 95' ' ' ILE . 6.4 mtt180 -53.54 -41.02 65.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -63.11 -52.5 62.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -48.53 -56.99 6.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.956 ' HG ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -52.1 -68.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.874 HG21 ' HG3' ' A' ' 61' ' ' GLU . 18.5 mt -39.64 -54.55 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -40.3 -51.1 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 101' ' ' ALA . 19.5 t80 -79.7 -48.36 13.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.646 HD23 HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -42.98 -53.87 4.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' GLU . 19.9 tptp -40.35 -47.4 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLU . 9.2 ttmm -79.11 -50.63 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.797 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -40.25 -48.94 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m -82.95 -28.91 29.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 7.9 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -3' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' -2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.508 0.194 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' -2' ' ' LYS . . . . . 0.466 ' O ' ' CE2' ' A' ' -3' ' ' PHE . 2.9 ttmt -84.16 140.96 31.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -115.94 154.25 30.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.429 ' HA2' HG21 ' A' ' 96' ' ' THR . . . 66.99 131.33 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.443 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 11.3 t 170.39 41.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.82 175.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.01 40.64 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 2' ' ' SER . 1.3 ptpm? 173.21 -33.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.08 -24.55 40.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.8 -60.87 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.38 -23.36 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.914 HD11 HD22 ' A' ' 85' ' ' LEU . 5.4 tt -63.65 -76.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 61.6 t80 -46.53 -33.08 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.04 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -116.14 60.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 19.1 mmt180 -145.78 -46.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -39.91 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.548 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 3.0 tp -42.66 -38.14 1.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -44.56 -29.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 m -109.35 -56.8 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 126.839 3.209 . . . . 0.0 108.279 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 30' ' ' PRO . 95.9 m-70 -103.26 157.72 16.81 Favored 'General case' 0 C--N 1.381 1.967 0 O-C-N 118.176 -2.828 . . . . 0.0 115.069 -163.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.454 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.8 p -128.88 108.57 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.123 -2.762 . . . . 0.0 110.407 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.478 HG21 ' HB1' ' A' ' 101' ' ' ALA . 12.5 p -56.36 -32.84 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 4.0 mt-10 -70.09 161.45 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.544 ' CE ' ' ND1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -90.54 -161.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.84 31.79 5.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.54 129.7 8.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.16 13.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.994 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 72.5 m-70 -51.1 111.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -93.98 -106.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.0 t -78.22 -32.88 17.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.41 168.2 25.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.661 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 18.2 Cg_endo -75.01 156.55 42.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' THR . 4.9 t-20 -71.59 152.97 42.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.536 ' HB3' HD12 ' A' ' 35' ' ' ILE . 13.7 mt -115.76 40.1 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.544 ' ND1' ' CE ' ' A' ' 22' ' ' LYS . 6.1 t-80 -62.62 104.13 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 102' ' ' SER . . . 48.25 95.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -114.76 -149.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.675 ' CZ ' ' CE ' ' A' ' 64' ' ' MET . 55.0 m-85 56.47 114.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.99 1.86 48.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 3.8 mmt85 -116.63 -169.85 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.791 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.561 ' NE2' HD13 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -108.34 148.17 30.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.607 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.613 ' HB3' HG12 ' A' ' 57' ' ' VAL . 4.0 p -41.66 117.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.44 96.08 2.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.491 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 63.2 mt-30 -137.16 9.82 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.994 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -72.96 -8.11 54.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ALA . 3.4 tm-20 35.24 86.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.34 -46.5 0.63 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.497 ' CD1' ' CB ' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -87.84 133.37 33.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 0.0 110.97 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' TYR . 41.4 t -82.05 7.78 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' HB2' HD12 ' A' ' 53' ' ' ILE . 4.6 m-85 43.41 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.4 p -97.92 -174.46 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.99 26.3 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -116.52 -55.08 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 55' ' ' LYS . 9.2 t-20 -64.75 -82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.58 HD12 ' HB2' ' A' ' 48' ' ' TYR . 24.0 mt -38.1 -35.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' ASN . 11.4 mmtt -86.84 46.47 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -147.49 -52.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER 78.46 32.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.613 HG12 ' HB3' ' A' ' 40' ' ' SER . 3.2 p -60.48 83.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD13 ' NE2' ' A' ' 39' ' ' HIS . 6.0 tp -63.78 92.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 27.8 m95 -53.99 152.72 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -157.05 -63.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -167.12 -68.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -79.91 -41.26 26.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -44.75 -53.13 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.675 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 3.4 ttm -61.68 -38.8 89.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.58 ' OG ' HD11 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -55.58 -55.45 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -51.8 -31.22 26.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.467 ' CE2' HD23 ' A' ' 68' ' ' LEU . 6.7 t80 -82.72 -58.29 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.597 HD11 ' SD ' ' A' ' 64' ' ' MET . 59.3 mt -40.31 -44.98 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 66' ' ' GLU . 9.3 t -68.55 -44.6 74.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' TYR . 12.9 t-20 -127.64 73.62 78.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.206 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -41.96 -53.44 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mm -98.82 109.62 54.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.98 103.05 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.86 54.2 2.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 78' ' ' THR . 5.2 t -101.57 111.09 23.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.59 -23.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.8 ttt -59.55 92.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.11 82.39 5.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -114.45 128.94 56.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.64 -60.48 4.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.42 134.38 4.03 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.914 HD22 HD11 ' A' ' 9' ' ' LEU . 21.8 mt -63.42 -64.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 83.5 -51.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLU . 8.1 mmtm -71.05 84.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -38.18 -36.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -69.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.466 ' HB3' HD12 ' A' ' 9' ' ' LEU . 2.4 m-20 -53.05 -50.26 64.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.572 ' O ' HD12 ' A' ' 95' ' ' ILE . 12.7 mtm105 -48.43 -42.24 31.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.416 ' HA ' ' CE2' ' A' ' -3' ' ' PHE . 40.5 m-20 -58.79 -27.69 65.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -85.21 -48.57 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.804 HD23 HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.98 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.58 HD11 ' OG ' ' A' ' 65' ' ' SER . 3.5 mt -41.33 -29.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -77.78 -47.65 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' LEU . 13.5 t80 -72.46 -47.6 47.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.572 HD12 HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -58.49 -53.48 57.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 3.6 tttt -51.05 -39.54 56.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -73.49 -61.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.478 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -46.89 -59.39 3.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.488 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 45.9 p -46.48 -25.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . 0.588 ' H1 ' ' CD ' ' A' ' 61' ' ' GLU . 24.1 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.405 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.1 OUTLIER -114.49 -32.85 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 110.298 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.597 ' CZ ' ' OE2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -51.56 -174.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER -89.26 15.7 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.592 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . 54.51 170.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -120.39 -131.91 4.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' ALA . 3.1 t 175.23 61.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.14 38.12 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . 5.5 tttm -62.0 -141.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -86.27 62.19 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.76 -45.66 3.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.15 -58.04 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -14.74 16.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.929 HD22 ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -75.41 -77.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.508 ' CD1' HD13 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -35.74 -48.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' PHE . 5.1 tttm -37.53 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.6 p -95.68 52.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.777 ' O ' HMC3 ' A' ' 104' ' ' HEC . 28.8 mmt180 -150.12 -45.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -124.27 -43.27 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 10' ' ' PHE . 3.9 tp -45.57 -37.44 5.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -50.12 -22.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.6 m -118.04 -48.65 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 126.852 3.215 . . . . 0.0 108.289 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -112.31 176.2 5.12 Favored 'General case' 0 C--N 1.381 1.948 0 O-C-N 118.15 -2.844 . . . . 0.0 115.088 -163.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 73.1 p -147.95 108.2 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.391 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.31 -31.0 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -52.69 175.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD2' ' NE2' ' A' ' 33' ' ' HIS . 1.9 tttm -92.05 -53.67 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -47.69 -23.0 2.06 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA3' ' ND2' ' A' ' 31' ' ' ASN . . . -36.61 105.58 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -74.99 -7.16 18.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 35.8 m-70 87.31 136.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -123.44 -96.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.8 t -86.48 -23.75 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.92 168.74 24.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.512 ' CG ' ' O1A' ' A' ' 104' ' ' HEC . 18.3 Cg_endo -74.98 166.32 29.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' HA3' ' A' ' 24' ' ' GLY . 3.0 t-20 -76.48 141.77 41.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.848 HD11 ' CHB' ' A' ' 104' ' ' HEC . 39.6 mt -94.88 -61.94 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.414 ' NE2' ' HD2' ' A' ' 22' ' ' LYS . 1.3 t-80 66.81 -147.05 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -79.4 60.05 4.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.0 -144.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.42 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 26.2 m-85 53.89 106.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 120.53 -29.48 5.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.596 ' O ' HD12 ' A' ' 58' ' ' LEU . 7.3 mmt85 -89.26 171.53 9.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.794 ' CD2' HD13 ' A' ' 58' ' ' LEU . 70.9 m80 -95.63 112.87 24.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.474 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 60.4 p 36.16 -153.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.948 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -35.06 151.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 29.7 mt-30 -141.5 27.95 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.802 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -125.98 126.47 44.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.33 -44.19 5.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.69 56.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 8.9 t80 -88.17 134.82 33.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.453 ' O ' ' CE1' ' A' ' 46' ' ' TYR . 84.2 p -69.31 120.38 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.802 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 1.6 m-85 -98.21 -166.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.713 HG23 ' O2D' ' A' ' 104' ' ' HEC . 79.4 p -100.15 159.64 14.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.02 22.16 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.06 -54.1 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -69.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.468 HD12 ' CB ' ' A' ' 48' ' ' TYR . 20.4 mt -44.23 -34.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -85.26 46.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -141.2 -47.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.44 28.63 13.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.803 HG11 ' CH2' ' A' ' 59' ' ' TRP . 8.0 p -63.4 93.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.794 HD13 ' CD2' ' A' ' 39' ' ' HIS . 9.8 tp -54.04 109.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.803 ' CH2' HG11 ' A' ' 57' ' ' VAL . 49.3 m95 -70.92 157.45 38.15 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -167.14 -64.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.597 ' OE2' ' CZ ' ' A' ' -3' ' ' PHE . 1.3 tt0 -166.77 -77.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.405 HD21 ' N ' ' A' ' -4' ' ' GLU . 72.8 m-80 -57.82 -56.03 27.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.722 HD21 HG22 ' A' ' 57' ' ' VAL . 7.7 t30 -41.52 -67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.431 ' HA ' ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -38.29 -56.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.583 ' CB ' HD11 ' A' ' 95' ' ' ILE . 1.2 t -56.26 -38.96 71.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -53.64 -28.59 33.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 20.8 t80 -93.87 -42.84 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.6 mt -48.28 -42.16 29.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.567 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.5 OUTLIER -64.59 -60.63 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.567 ' N ' HG22 ' A' ' 69' ' ' THR . 3.9 m-20 -124.13 75.52 59.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.591 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.01 -29.68 7.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.585 HM13 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.479 0.98 0 O-C-N 127.684 3.115 . . . . 0.0 116.584 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -66.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.068 -1.424 . . . . 0.0 109.277 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -44.95 -53.94 7.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.506 HG13 ' CE1' ' A' ' 67' ' ' TYR . 28.1 mm -87.19 113.61 54.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.47 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.77 55.12 0.75 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' THR . 0.8 OUTLIER -96.89 113.33 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 110.363 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.439 ' O ' HMD2 ' A' ' 104' ' ' HEC . 6.1 mttm -65.97 -11.24 46.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.51 ' HA ' ' C2D' ' A' ' 104' ' ' HEC . 15.9 ttt -63.42 95.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.854 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -81.72 71.62 8.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' HD1' HMC2 ' A' ' 104' ' ' HEC . 16.1 t80 -102.0 -51.29 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 102.42 -59.04 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.434 ' CA ' ' O ' ' A' ' 69' ' ' THR . . . 134.28 136.94 3.72 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.6 mt -73.61 -35.95 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 1.5 pttm 51.42 22.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -133.34 75.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -38.95 -32.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.332 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' LYS . 15.3 mttt -48.02 -64.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 93' ' ' ASP . 4.4 m-20 -61.95 -47.2 85.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.651 ' O ' HD12 ' A' ' 95' ' ' ILE . 6.6 mtm180 -46.73 -43.78 18.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.65 -34.81 71.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 90' ' ' ASP . 56.0 m-20 -83.05 -37.16 24.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.933 HD13 ' CE2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -43.28 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 91' ' ' ARG . 1.4 mp -50.01 -53.07 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' ILE . 0.6 OUTLIER -35.71 -48.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.933 ' CE2' HD13 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -87.26 -43.02 12.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -41.95 -58.01 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.91 -38.82 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -69.54 -57.44 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.03 -39.39 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.56 -25.18 63.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.854 HBC2 ' O ' ' A' ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.13 60.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.498 ' HZ ' ' HG1' ' A' ' 96' ' ' THR . 5.6 t80 -143.34 128.56 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.19 107.46 19.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' -3' ' ' PHE . . . -70.78 156.04 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' C ' ' HG ' ' A' ' 2' ' ' SER . . . -178.25 -103.23 0.17 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.142 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.504 ' OG ' HG22 ' A' ' 96' ' ' THR . 96.5 p 55.49 -95.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.452 ' N ' ' OG ' ' A' ' 2' ' ' SER . . . 51.16 -143.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -70.25 75.02 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.01 -34.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.76 -24.4 42.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . . . -63.54 -32.43 73.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -11.45 31.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.109 HD22 HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -77.09 -78.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -37.47 -50.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.5 tptt -38.49 -32.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.562 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -134.14 126.53 30.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.421 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 89.61 21.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.712 ' SG ' ' HAB' ' A' ' 104' ' ' HEC . 72.3 m -156.1 -71.77 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 108.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 10' ' ' PHE . 1.8 tp -45.99 -26.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 14' ' ' CYS . 11.2 pt20 -54.36 -27.37 35.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.465 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 95.3 m -113.43 -56.25 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 126.843 3.211 . . . . 0.0 108.294 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -104.84 151.65 23.56 Favored 'General case' 0 C--N 1.381 1.94 0 O-C-N 118.204 -2.81 . . . . 0.0 115.102 -163.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.608 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -109.25 124.87 51.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 111.05 -2.795 . . . . 0.0 110.425 -179.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.941 HG21 ' HB1' ' A' ' 101' ' ' ALA . 5.8 p -91.46 -21.79 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.8 159.97 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.632 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 3.1 tttt -78.33 162.81 26.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.64 56.3 22.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.66 126.69 8.27 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.0 -9.46 20.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.559 1.821 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.521 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 28.0 m-70 84.03 137.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.584 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -114.54 -100.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 95.6 t -85.92 -24.03 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.48 170.23 24.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.489 ' CG ' ' O1A' ' A' ' 104' ' ' HEC . 18.3 Cg_endo -74.98 163.21 35.83 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.608 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.7 OUTLIER -68.97 136.18 52.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD11 ' CHB' ' A' ' 104' ' ' HEC . 18.4 mt -89.05 -47.44 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.632 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 1.2 p-80 -38.85 103.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.613 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.96 -25.08 4.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.5 pp -60.81 -158.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.752 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.0 m-85 58.01 92.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 123.99 -11.92 8.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.552 1.157 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 58' ' ' LEU . 20.1 mmt-85 -112.6 174.36 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.702 ' CD2' HD13 ' A' ' 58' ' ' LEU . 4.9 m170 -92.88 115.18 27.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.555 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.447 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 85.6 p 39.01 -160.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -56.32 135.03 50.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.408 ' NE2' ' HD2' ' A' ' 38' ' ' ARG . 8.3 mt-30 -126.5 25.23 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.637 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -74.12 126.91 31.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -111.77 95.25 5.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.92 -47.59 0.86 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 47' ' ' SER . 7.8 t80 -76.07 127.52 33.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.543 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 36.7 p -53.79 128.03 28.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.956 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.637 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -117.41 -175.42 2.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.9 p -108.75 162.27 14.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.04 21.98 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -112.03 -54.38 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 54' ' ' LYS . 1.7 m-20 -65.43 -80.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 48' ' ' TYR . 31.8 mt -39.58 -32.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 52' ' ' ASN . 6.3 mmtp -85.12 46.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.53 -46.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' OD1' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 69.41 37.1 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.64 HG22 HD21 ' A' ' 63' ' ' ASN . 2.6 p -74.61 90.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 39' ' ' HIS . 8.5 tp -51.34 116.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.559 ' CZ2' HG13 ' A' ' 57' ' ' VAL . 52.4 m95 -80.96 140.9 34.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 107.988 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -153.65 -69.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 1.9 tt0 -167.67 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.441 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -53.78 -49.56 68.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.64 HD21 HG22 ' A' ' 57' ' ' VAL . 4.6 t30 -44.59 -64.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.4 ttm -43.49 -44.6 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.576 ' HA ' HD11 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -48.63 -36.73 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.004 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -75.65 -44.52 42.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.552 ' OH ' ' C1A' ' A' ' 104' ' ' HEC . 18.7 t80 -53.9 -43.02 69.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' ' 69' ' ' THR . 20.8 mt -74.42 -176.5 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER 72.88 -55.37 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' N ' HG22 ' A' ' 69' ' ' THR . 8.6 m-80 -134.53 66.93 71.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.51 8.17 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.453 ' CM2' ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.94 0 O-C-N 127.645 3.091 . . . . 0.0 116.578 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -100.49 -59.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.042 -1.435 . . . . 0.0 109.318 174.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CD2' HG13 ' A' ' 75' ' ' ILE . 69.5 t80 -39.54 -53.65 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.559 HG13 ' CD2' ' A' ' 74' ' ' TYR . 50.4 mt -109.4 106.4 58.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 100.73 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 114.88 36.56 1.24 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.2 t -100.95 114.29 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' C ' HMD2 ' A' ' 104' ' ' HEC . 2.6 mttp -60.84 -15.09 26.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.518 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.0 ttt -58.93 92.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.817 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -84.81 69.48 10.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 16.9 t80 -114.99 129.55 56.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.56 -58.26 15.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.503 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 119.28 144.88 7.47 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.006 HD21 HD21 ' A' ' 9' ' ' LEU . 1.4 mt -75.7 -170.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -150.69 -58.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.6 mmmt -60.99 90.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -38.43 -36.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -47.75 -62.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.631 ' HB3' HD11 ' A' ' 9' ' ' LEU . 4.0 m-20 -63.23 -44.94 93.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' NH1' ' OG1' ' A' ' 69' ' ' THR . 15.6 mtm180 -50.75 -41.78 56.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -74.81 -42.15 58.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' A' ' 96' ' ' THR . 90.4 m-20 -55.57 -66.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.109 HD22 HD22 ' A' ' 9' ' ' LEU . 14.6 tp -39.86 -58.48 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 65' ' ' SER . 87.4 mt -42.04 -45.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.504 HG22 ' OG ' ' A' ' 2' ' ' SER . 0.8 OUTLIER -65.46 -55.01 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 7' ' ' ALA . 40.5 t80 -56.71 -40.97 76.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -56.32 -44.93 80.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.74 -46.06 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -46.23 16.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.941 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -48.87 -48.02 42.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 33' ' ' HIS . 6.6 p -74.88 -30.72 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 1.712 ' HAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 67.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' -5' ' ' THR . 17.6 pt-20 43.72 61.62 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' -1' ' ' ALA . 0.0 OUTLIER -51.45 -174.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.54 20.26 10.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . 58.73 158.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -115.9 -33.6 1.51 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.16 167.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 110.045 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.46 64.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -126.49 119.19 26.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER 38.26 38.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.03 -55.95 0.86 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.501 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -55.76 -55.52 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.34 -20.46 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.874 HD22 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -67.46 -77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 58.1 t80 -41.77 -46.12 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.81 -28.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.573 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -129.75 127.26 40.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.573 ' CB ' ' O ' ' A' ' 12' ' ' THR . 1.2 mmt180 90.04 22.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 42.1 m -155.48 -67.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.3 mp -42.67 -42.04 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.414 ' NE2' HMC1 ' A' ' 104' ' ' HEC . 19.3 pt20 -42.7 -27.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' HG11 ' A' ' 28' ' ' VAL . 74.2 m -114.1 -59.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 126.861 3.219 . . . . 0.0 108.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -101.41 167.15 10.35 Favored 'General case' 0 C--N 1.381 1.963 0 O-C-N 118.148 -2.845 . . . . 0.0 115.087 -163.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.2 p -141.95 115.59 9.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 111.099 -2.773 . . . . 0.0 110.385 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.58 -23.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -61.8 162.35 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.55 ' CD ' ' NE2' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -88.31 170.51 10.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 42.39 58.99 3.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.15 147.19 18.36 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.18 32.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 32.0 m-70 -77.88 111.44 13.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.613 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 -111.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.774 ' O ' HMD3 ' A' ' 104' ' ' HEC . 90.1 t -84.43 -30.07 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.76 155.0 20.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -75.03 139.08 23.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.951 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.3 m120 -49.96 118.18 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 35' ' ' ILE . 45.0 mt -72.06 -67.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.55 ' NE2' ' CD ' ' A' ' 22' ' ' LYS . 1.5 t-80 73.93 -138.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.58 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -87.29 59.1 4.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.46 -149.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 51.2 m-85 55.53 100.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 127.26 -32.14 3.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.458 ' NE ' ' OE1' ' A' ' 42' ' ' GLN . 4.9 mmt180 -85.46 171.29 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.27 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.685 ' CD2' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -93.44 111.15 22.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.545 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.469 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 84.1 p 40.84 -162.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.531 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -48.73 130.25 22.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.458 ' OE1' ' NE ' ' A' ' 38' ' ' ARG . 9.3 mt-30 -135.02 34.5 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.566 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -72.34 -14.22 61.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 43' ' ' ALA . 2.6 tm-20 33.61 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.83 -46.77 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 4.3 t80 -53.48 140.66 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.6 p -66.08 79.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CE2' ' O2A' ' A' ' 104' ' ' HEC . 3.4 m-85 -80.17 178.07 8.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 p -115.31 -152.2 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.74 23.34 11.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.33 -56.67 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 54' ' ' LYS . 2.5 m-20 -63.61 -82.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.582 HD12 ' CB ' ' A' ' 48' ' ' TYR . 14.8 mt -38.67 -32.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' ' C ' ' A' ' 52' ' ' ASN . 12.9 mmtt -84.12 47.86 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.627 ' HD3' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -137.6 -46.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.607 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER 59.9 32.18 21.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.86 HG11 ' CH2' ' A' ' 59' ' ' TRP . 14.4 p -72.34 90.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.685 HD12 ' CD2' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -52.27 96.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.86 ' CH2' HG11 ' A' ' 57' ' ' VAL . 51.5 m95 -58.28 145.48 37.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 108.028 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -141.49 -60.38 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.838 ' HG2' HG21 ' A' ' 95' ' ' ILE . 11.5 tt0 -178.71 -55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.8 OUTLIER -84.28 -56.3 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.621 ' ND2' HG22 ' A' ' 57' ' ' VAL . 1.1 p-10 -40.59 -40.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.59 ' SD ' ' CE1' ' A' ' 36' ' ' PHE . 34.7 ttm -63.51 -44.97 92.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.734 ' HB2' HD11 ' A' ' 95' ' ' ILE . 11.2 t -53.95 -51.75 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -43.74 -48.55 8.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 8.3 t80 -67.62 -48.3 67.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -45.69 -45.43 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.526 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -60.56 -56.59 19.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.526 ' N ' HG22 ' A' ' 69' ' ' THR . 1.4 m120 -124.95 75.3 66.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.05 -29.45 8.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.445 HM13 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.956 0 O-C-N 127.639 3.087 . . . . 0.0 116.597 -178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.16 -68.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.293 175.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -41.99 -39.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.627 HD13 ' HD3' ' A' ' 55' ' ' LYS . 23.8 mm -112.68 95.85 34.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 90.56 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.59 38.62 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.462 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.6 t -105.65 115.22 29.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.439 ' C ' HMD2 ' A' ' 104' ' ' HEC . 4.4 mtpp -58.58 -17.75 24.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.531 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.4 ttt -57.73 91.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HA ' HM13 ' A' ' 72' ' ' M3L . . . -84.91 84.92 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -120.82 132.31 54.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.86 -53.88 34.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.36 118.54 3.07 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.2 mt -61.73 165.11 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.46 -53.55 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' GLU . 7.4 mmmt -55.57 98.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -37.0 -63.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' ASN . 10.7 mttt -44.42 -56.24 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -44.6 -32.65 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.715 ' O ' HD12 ' A' ' 95' ' ' ILE . 12.8 mtm180 -79.65 -38.6 33.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' LYS . 13.7 m-20 -69.3 -34.21 74.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -69.17 -44.93 71.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.874 HD13 HD22 ' A' ' 9' ' ' LEU . 7.4 tp -57.0 -67.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.838 HG21 ' HG2' ' A' ' 61' ' ' GLU . 6.9 mt -40.7 -51.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.56 -52.13 18.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.501 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 60.8 t80 -71.28 -41.63 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.951 HD11 ' CMB' ' A' ' 104' ' ' HEC . 0.1 OUTLIER -55.48 -52.96 61.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -35.4 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 103' ' ' GLU . 44.3 tttm -74.49 -62.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.73 31.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.6 p -62.75 -25.9 68.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 100' ' ' LYS . 22.3 pt-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.951 ' CMB' HD11 ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.83 75.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.175 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.51 176.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.76 130.87 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -71.76 155.61 40.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . -115.05 -141.07 7.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 168.47 75.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.03 52.12 5.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.3 101.57 10.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt 41.53 49.92 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.54 -45.51 2.5 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -64.36 -58.51 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.26 -26.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.97 HD22 HD13 ' A' ' 94' ' ' LEU . 8.0 tt -71.43 -77.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' O ' ' C ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -43.15 -48.72 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 10' ' ' PHE . 3.0 ttpp -29.82 -73.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 12' ' ' THR . 1.2 m -109.48 60.61 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.806 ' NH1' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -146.84 -60.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB3' ' C4B' ' A' ' 104' ' ' HEC . 0.0 OUTLIER -111.84 -35.57 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 108.314 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD22 ' HA ' ' A' ' 11' ' ' LYS . 4.5 tp -43.43 -36.86 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -48.65 -33.42 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 87.7 m -104.62 -55.44 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 126.812 3.196 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -105.03 162.77 13.08 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 118.151 -2.843 . . . . 0.0 115.15 -163.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.565 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -111.7 115.86 29.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 111.127 -2.761 . . . . 0.0 110.41 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.943 HG23 ' HB1' ' A' ' 101' ' ' ALA . 2.6 p -86.21 -30.86 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -59.51 -148.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.68 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 2.8 ttpt -123.22 -63.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.63 56.56 2.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.26 128.28 6.12 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 159.94 40.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.537 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 16.2 m-70 -73.5 141.63 46.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.613 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -122.33 -97.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 77.0 t -89.99 -23.61 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.94 163.41 26.99 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' HD3' ' CGD' ' A' ' 104' ' ' HEC . 18.1 Cg_endo -75.04 159.67 40.95 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.565 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.9 OUTLIER -64.67 138.42 58.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.833 HD11 ' CHB' ' A' ' 104' ' ' HEC . 18.9 mt -92.77 -47.37 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.68 ' CE1' ' HA ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -37.86 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.584 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.5 -25.09 4.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.5 pp -60.26 -158.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.739 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.2 m-85 57.83 93.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 121.51 -14.17 9.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.438 1.086 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 38' ' ' ARG . 1.1 mpt_? -111.99 165.33 12.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 110.375 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' ND1' HD12 ' A' ' 58' ' ' LEU . 1.6 m80 -89.06 146.32 24.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.45 ' HB3' HG23 ' A' ' 57' ' ' VAL . 91.0 p -37.86 140.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.67 93.22 0.37 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.117 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -126.51 3.5 6.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 0.803 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -116.71 126.82 53.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -99.72 -48.87 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.253 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.91 -40.52 73.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.537 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 10.3 t80 -94.29 121.58 35.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 89.9 p -62.02 139.73 58.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.547 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -106.4 -177.96 3.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -85.94 157.76 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.416 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.62 12.99 13.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.08 -45.88 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 55' ' ' LYS . 13.1 t-20 -60.73 -71.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.3 mt -39.79 -33.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' ASN . 6.5 mmtp -87.52 45.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -141.73 -48.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 58.39 86.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.661 HG11 ' HE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -126.21 102.57 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.514 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.1 tt -62.7 79.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.519 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 53.9 m95 -33.42 142.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.602 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 t0 -148.83 -72.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -169.39 -66.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.85 -46.6 68.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -48.1 -65.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.519 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -47.81 -52.09 20.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.803 ' OG ' HD11 ' A' ' 95' ' ' ILE . 5.5 t -44.59 -46.68 10.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -56.44 -42.93 78.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.659 ' CE1' HD12 ' A' ' 75' ' ' ILE . 25.4 t80 -72.66 -30.53 64.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 65' ' ' SER . 76.3 mt -65.34 -45.88 82.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 66' ' ' GLU . 4.2 t -70.27 -44.5 68.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -130.76 73.32 81.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.498 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.03 -30.96 6.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.573 HM21 ' CB ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.477 0.906 0 O-C-N 127.593 3.058 . . . . 0.0 116.605 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -66.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.035 -1.438 . . . . 0.0 109.299 175.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.661 ' HE2' HG11 ' A' ' 57' ' ' VAL . 25.4 t80 -40.27 -54.17 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.659 HD12 ' CE1' ' A' ' 67' ' ' TYR . 82.5 mt -108.4 107.91 60.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.49 4.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.27 42.53 5.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 78' ' ' THR . 5.1 t -93.68 108.97 20.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -44.44 -27.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.519 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.4 ttt -58.75 93.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.573 ' CB ' HM21 ' A' ' 72' ' ' M3L . . . -93.03 62.8 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.589 ' HD1' HMC2 ' A' ' 104' ' ' HEC . 17.5 t80 -99.97 144.64 28.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -71.23 95.88 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.61 117.33 1.16 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD21 ' NH1' ' A' ' 13' ' ' ARG . 6.0 mt -69.23 179.23 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -150.86 -55.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.34 92.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' LYS . 5.2 mt-10 -44.23 -33.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -45.24 -66.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -46.51 81.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -47.51 -37.88 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -71.34 -59.85 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -44.34 -51.32 8.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.97 HD13 HD22 ' A' ' 9' ' ' LEU . 11.5 tp -53.5 -67.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.803 HD11 ' OG ' ' A' ' 65' ' ' SER . 53.3 mt -39.62 -54.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -42.47 -48.76 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 100' ' ' LYS . 13.8 t80 -79.2 -45.75 19.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.545 HD23 ' HG ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -43.78 -52.16 6.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.37 -39.45 57.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 103' ' ' GLU . 4.8 tmmm? -72.65 -44.55 61.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.943 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . -42.49 -43.91 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -83.95 -28.25 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.833 ' CHB' HD11 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -62.69 -43.13 99.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.246 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.59 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 6.5 t80 -177.02 95.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 101.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.57 156.15 27.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -90.88 -117.09 1.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p 176.77 -70.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.22 -178.92 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.73 54.01 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -179.01 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.91 -42.02 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -57.23 -59.34 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.13 -22.15 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.908 HD22 HD13 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -67.8 -80.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' LEU . 11.5 t80 -37.31 -39.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -45.63 -44.55 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 67.9 p -124.41 142.84 50.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' C ' HMC3 ' A' ' 104' ' ' HEC . 3.1 mmt180 79.95 19.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.388 ' SG ' ' CAB' ' A' ' 104' ' ' HEC . 0.1 OUTLIER -158.49 -68.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.324 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 11' ' ' LYS . 13.5 mt -45.83 -43.49 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -47.43 -24.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.0 m -110.8 -56.82 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 126.831 3.205 . . . . 0.0 108.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -110.3 174.26 5.94 Favored 'General case' 0 C--N 1.38 1.932 0 O-C-N 118.174 -2.828 . . . . 0.0 115.105 -163.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 20.5 p -148.41 124.01 10.43 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 111.078 -2.783 . . . . 0.0 110.426 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.12 -21.96 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -54.03 179.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 7.2 tttm -115.4 154.12 29.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 22' ' ' LYS . . . 77.0 21.53 73.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.73 133.46 40.98 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.03 14.8 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 22.3 m-70 72.65 127.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.633 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -122.59 -99.01 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.43 ' O ' HMD3 ' A' ' 104' ' ' HEC . 40.5 t -85.94 -37.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.38 160.69 23.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -74.97 140.52 25.64 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 19' ' ' THR . 2.1 m120 -57.48 119.33 6.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' A' ' 35' ' ' ILE . 78.9 mt -70.49 -66.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.8 OUTLIER 76.69 -136.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.606 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -91.2 59.56 3.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -61.75 -142.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.427 0.722 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 60' ' ' ASP . 26.7 m-85 52.09 103.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.46 -57.0 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 58' ' ' LEU . 18.2 mmt85 -70.54 179.32 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.582 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -105.35 121.88 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.496 ' O ' ' C ' ' A' ' 41' ' ' GLY . 51.5 p 35.81 -153.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 40' ' ' SER . . . -30.16 129.45 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.562 1.164 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 46.3 mt-30 -114.95 -0.37 13.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.25 153.67 48.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' GLY . 36.5 mt-10 -108.64 -37.58 5.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' GLU . . . -37.87 -53.69 1.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.577 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -72.8 129.2 37.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.987 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.6 p -73.45 86.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.65 ' CB ' HD12 ' A' ' 53' ' ' ILE . 3.7 m-85 -62.06 -179.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -103.26 177.61 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.74 22.22 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -115.54 -58.8 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.31 -74.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.65 HD12 ' CB ' ' A' ' 48' ' ' TYR . 4.9 mt -41.23 -37.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -85.62 46.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 -47.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 57.68 68.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.69 HG11 ' HE2' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -107.66 106.0 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.582 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -57.94 81.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.563 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 43.3 m95 -39.25 135.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 107.979 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 5.8 t0 -154.35 -156.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE2' ' CD2' ' A' ' -3' ' ' PHE . 29.0 tt0 -83.49 -27.01 29.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.72 -36.95 4.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -45.84 -62.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.563 ' HG3' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -60.04 -39.53 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.474 ' OG ' ' CD1' ' A' ' 95' ' ' ILE . 16.1 m -51.21 -45.29 61.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.49 -43.67 98.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.569 ' CE1' HD12 ' A' ' 75' ' ' ILE . 9.5 t80 -70.12 -54.75 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.49 -38.0 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.438 ' OG1' ' NH1' ' A' ' 91' ' ' ARG . 0.7 OUTLIER -62.9 -46.73 86.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -140.1 73.01 32.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 -29.59 8.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.45 ' CM2' ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.941 0 O-C-N 127.685 3.116 . . . . 0.0 116.634 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -99.46 -64.77 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.303 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.69 ' HE2' HG11 ' A' ' 57' ' ' VAL . 53.6 t80 -37.59 -48.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 67' ' ' TYR . 64.8 mt -111.02 100.77 47.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 98.26 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.521 1.801 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.53 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 119.78 35.21 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.8 t -95.6 111.11 23.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.4 ' HB3' HMD1 ' A' ' 104' ' ' HEC . 0.0 OUTLIER -55.58 -19.19 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.527 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 14.3 ttt -59.94 95.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.45 ' HA ' ' CM2' ' A' ' 72' ' ' M3L . . . -86.86 59.58 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -97.01 -66.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.51 -65.81 0.5 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.51 148.48 7.07 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.0 mt -86.57 -169.48 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -147.17 -47.79 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -65.41 92.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.0 -32.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -46.85 -64.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.18 -47.12 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 86' ' ' LYS . 5.5 mtm180 -47.66 -44.15 26.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -70.17 -60.38 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 96' ' ' THR . 72.0 m-20 -40.39 -45.18 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.908 HD13 HD22 ' A' ' 9' ' ' LEU . 7.0 tp -54.04 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.474 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 8.4 mt -43.24 -28.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 0.5 OUTLIER -70.54 -47.08 62.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 52.3 t80 -75.58 -44.55 42.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -55.48 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -51.33 -28.97 13.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -65.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.23 -50.83 48.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' HIS . 40.8 m -66.8 -32.13 73.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 1.388 ' CAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.26 72.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' -3' ' ' PHE . 9.3 t80 53.68 105.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -82.4 103.44 11.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -41.47 158.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' HA3' HG21 ' A' ' 96' ' ' THR . . . -107.77 -125.2 5.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p -168.45 170.42 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.16 53.54 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.59 58.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -174.55 -40.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.22 -38.43 5.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.561 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -49.36 -61.48 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -16.98 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.964 HD22 ' HG ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -75.59 -76.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 36.1 t80 -35.79 -47.2 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.532 ' HG3' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -46.75 -49.17 20.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -106.91 123.95 48.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 87.61 23.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.75 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.639 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 mp -46.13 -40.64 11.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -48.6 -25.41 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.7 m -110.88 -56.99 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 126.855 3.217 . . . . 0.0 108.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -108.5 176.01 5.27 Favored 'General case' 0 C--N 1.381 1.939 0 O-C-N 118.165 -2.834 . . . . 0.0 115.126 -163.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.623 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -139.82 135.25 32.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.091 -2.777 . . . . 0.0 110.398 -179.381 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -86.68 -39.21 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 11.1 mttt -127.74 -57.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -40.14 -33.73 0.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.23 124.37 34.93 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.595 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 44.6 m-70 -87.51 135.5 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -123.22 -98.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.593 ' O ' HMD3 ' A' ' 104' ' ' HEC . 41.0 t -95.06 -24.61 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.38 155.46 23.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.485 ' CG ' ' O1A' ' A' ' 104' ' ' HEC . 18.4 Cg_endo -74.97 145.76 31.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.623 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.5 OUTLIER -55.54 127.85 31.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.1 mt -85.74 -64.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER 70.87 -147.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.604 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -78.49 59.56 4.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.29 -143.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.695 ' CE1' ' HE2' ' A' ' 64' ' ' MET . 24.7 m-85 57.38 115.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.01 -31.44 6.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 13.4 mmt-85 -87.96 170.86 10.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' SER . 19.3 m80 -100.05 115.52 29.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.498 ' HB3' HG12 ' A' ' 57' ' ' VAL . 79.7 p 37.37 -155.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -35.21 151.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 26.2 mt-30 -141.04 28.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.54 150.66 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -109.31 -35.41 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.87 -53.27 3.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -72.85 129.36 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.3 p -64.85 81.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CE2' ' CGA' ' A' ' 104' ' ' HEC . 1.9 m-85 -67.84 -176.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 p -109.14 -176.41 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.367 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.79 22.02 16.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -112.69 -57.94 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -60.01 -73.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.407 HD12 ' HB3' ' A' ' 48' ' ' TYR . 19.5 mt -39.76 -38.24 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -86.94 46.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -139.75 -46.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER 69.27 21.05 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.5 p -49.74 92.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ASN . 1.7 tt -58.39 99.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CE3' ' HG2' ' A' ' 64' ' ' MET . 53.8 m95 -63.03 136.39 57.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.555 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 t70 -145.95 -153.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 95' ' ' ILE . 1.0 OUTLIER -87.65 -25.77 23.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -116.47 -42.98 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 58' ' ' LEU . 13.1 t30 -41.2 -57.44 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.695 ' HE2' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -58.62 -42.42 88.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.634 ' CB ' HD11 ' A' ' 95' ' ' ILE . 5.6 t -47.37 -40.0 16.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -49.33 61.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.477 ' CE1' HD12 ' A' ' 75' ' ' ILE . 23.8 t80 -61.28 -57.58 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.6 mt -45.09 -42.22 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.518 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -58.77 -60.01 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.518 ' N ' HG22 ' A' ' 69' ' ' THR . 1.0 OUTLIER -132.59 75.86 72.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.457 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.02 -29.82 7.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.53 HM21 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.941 0 O-C-N 127.637 3.086 . . . . 0.0 116.621 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -97.32 -63.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.033 -1.439 . . . . 0.0 109.33 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.484 ' CD2' HG13 ' A' ' 75' ' ' ILE . 75.7 t80 -37.4 -50.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 74' ' ' TYR . 32.8 mt -108.8 101.57 44.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 81.97 2.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.536 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 137.73 44.11 0.08 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 78' ' ' THR . 0.9 OUTLIER -109.49 113.95 27.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.411 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -14.16 33.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.517 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 19.1 ttt -60.29 97.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.53 ' HA ' HM21 ' A' ' 72' ' ' M3L . . . -83.95 62.11 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -99.5 130.12 45.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -43.87 -59.76 3.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.93 111.22 2.74 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.65 169.01 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' O ' ' NE ' ' A' ' 91' ' ' ARG . 14.8 mtmm -152.78 -48.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -64.12 104.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -41.63 -31.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.84 -67.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.23 -48.2 79.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.532 ' O ' HD12 ' A' ' 95' ' ' ILE . 8.4 mtm180 -48.09 -42.04 27.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -68.42 -58.9 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -44.08 -54.02 5.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.964 ' HG ' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -56.55 -68.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.634 HD11 ' CB ' ' A' ' 65' ' ' SER . 11.7 mt -40.4 -36.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.416 HG21 ' HA3' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -66.27 -49.5 66.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 34.6 t80 -73.56 -50.8 19.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.639 HD23 HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -45.21 -50.26 11.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.177 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -55.55 -35.28 65.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLU . 2.1 tmtt? -78.51 -66.2 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -45.81 -47.97 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 38.9 p -68.3 -28.43 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 100' ' ' LYS . 16.7 pt-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.63 HBB1 HD11 ' A' ' 94' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . 0.452 ' CB ' ' OE1' ' A' ' -4' ' ' GLU . 53.4 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.452 ' OE1' ' CB ' ' A' ' -5' ' ' THR . 20.6 pm0 37.38 41.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' -3' ' ' PHE . 0.3 OUTLIER -67.44 137.78 56.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -93.26 131.13 38.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -91.75 155.63 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -102.99 -38.17 2.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.94 -72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.001 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.25 32.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HG3' ' CA ' ' A' ' 1' ' ' GLY . 3.2 mmtp -69.58 -158.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.14 58.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.7 -53.6 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.8 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . . . -57.25 -52.34 65.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.736 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -18.88 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.926 HD22 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -71.48 -77.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.628 ' CD2' HD13 ' A' ' 15' ' ' LEU . 41.6 t80 -37.06 -43.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.707 ' HA ' HD22 ' A' ' 15' ' ' LEU . 2.0 ttmt -40.21 -42.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.2 p -123.78 148.99 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.497 ' O ' HMC3 ' A' ' 104' ' ' HEC . 5.7 mmt180 77.54 8.08 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.31 -63.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.707 HD22 ' HA ' ' A' ' 11' ' ' LYS . 2.5 tp -46.94 -42.24 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -49.52 -22.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -114.3 -58.14 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 126.876 3.227 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' CE1' ' HA3' ' A' ' 29' ' ' GLY . 93.1 m-70 -109.82 170.15 8.26 Favored 'General case' 0 C--N 1.382 1.982 0 O-C-N 118.126 -2.859 . . . . 0.0 115.126 -163.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.408 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 11.7 p -135.82 113.15 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.457 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.683 HG21 ' CB ' ' A' ' 101' ' ' ALA . 9.7 p -73.14 -29.05 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 3.1 mt-10 -61.83 160.78 11.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.549 ' CG ' ' NE2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -69.44 -163.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.23 41.34 0.7 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.4 ' HA3' ' OD1' ' A' ' 31' ' ' ASN . . . -60.47 119.1 17.13 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.79 20.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 12.6 m-70 69.41 107.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -115.94 -98.97 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.441 ' O ' HMD3 ' A' ' 104' ' ' HEC . 60.8 t -81.89 -33.32 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CE1' ' A' ' 18' ' ' HIS . . . -138.59 161.25 25.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.2 Cg_endo -75.02 143.35 28.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.56 1.821 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.7 t30 -41.88 151.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.646 ' HB3' HD12 ' A' ' 35' ' ' ILE . 55.8 mt -128.64 49.98 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' CG ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -47.93 90.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.606 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 24.6 49.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.723 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -38.59 120.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 5.7 m-85 -178.76 122.57 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.14 4.68 57.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.984 ' O ' HD12 ' A' ' 58' ' ' LEU . 23.7 mmt-85 -121.76 176.22 5.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.786 . . . . 0.0 110.333 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.955 ' CD2' HD13 ' A' ' 58' ' ' LEU . 51.5 m80 -103.32 115.86 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.581 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.462 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 79.4 p 38.56 -158.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 48' ' ' TYR . . . -56.85 126.75 42.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -120.41 50.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.8 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -128.2 131.43 48.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -98.73 -52.35 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.17 -48.7 2.12 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -79.91 122.8 27.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 110.994 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.0 p -65.51 83.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.8 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 2.0 m-85 -62.7 -173.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 111.052 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.6 p -109.79 176.48 5.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.23 22.55 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -114.6 -57.06 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -62.82 -77.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 48' ' ' TYR . 31.6 mt -39.25 -32.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 52' ' ' ASN . 5.9 mmtp -85.01 47.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.42 -47.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER 66.96 10.89 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.627 HG13 ' CZ2' ' A' ' 59' ' ' TRP . 3.0 p -50.88 92.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.984 HD12 ' O ' ' A' ' 38' ' ' ARG . 11.7 tp -54.83 115.96 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.644 ' CE3' ' HE2' ' A' ' 64' ' ' MET . 46.0 m95 -80.19 117.86 21.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 41.5 t0 -114.65 -65.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.473 ' CG ' ' CG2' ' A' ' 95' ' ' ILE . 36.0 tt0 -179.0 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ASN . 2.7 t30 -95.77 -63.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 58' ' ' LEU . 6.0 p-10 -39.87 -42.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.644 ' HE2' ' CE3' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -48.23 -49.23 33.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.625 ' OG ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -61.47 -49.47 76.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' HG22 ' A' ' 69' ' ' THR . 1.0 OUTLIER -39.61 -32.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.969 ' CE1' HD12 ' A' ' 75' ' ' ILE . 7.7 t80 -86.23 -50.88 6.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.8 mt -42.85 -44.23 4.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 66' ' ' GLU . 3.6 t -64.89 -45.32 86.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.4 ' OD1' ' CB ' ' A' ' 73' ' ' LYS . 6.6 t-20 -129.01 73.43 81.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.493 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.98 -29.6 8.1 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.508 HM23 ' HD3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.477 0.912 0 O-C-N 127.622 3.076 . . . . 0.0 116.608 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' TYR . 6.1 tttp -97.73 -66.97 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.274 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.481 ' OH ' HG23 ' A' ' 57' ' ' VAL . 2.1 t80 -37.14 -48.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.969 HD12 ' CE1' ' A' ' 67' ' ' TYR . 85.8 mt -110.21 99.73 41.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 89.98 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.541 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 125.87 40.36 0.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 80' ' ' MET . 0.7 OUTLIER -103.24 117.09 33.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.413 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -66.38 -10.51 44.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.525 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 12.1 ttt -59.74 95.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' HA ' HM11 ' A' ' 72' ' ' M3L . . . -88.3 68.69 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.51 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 20.2 t80 -124.55 153.66 41.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.16 98.71 1.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.51 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . -39.08 118.76 0.86 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.85 -56.35 14.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm 77.07 42.12 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLU . 33.0 mmtp -131.61 79.08 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 0.4 OUTLIER -38.19 -34.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -68.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -65.69 -55.13 19.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -42.8 -44.56 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 36.6 m-20 -53.68 -47.58 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.2 -56.67 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.926 HD12 HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -55.24 -58.05 9.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.625 HD11 ' OG ' ' A' ' 65' ' ' SER . 68.4 mt -40.47 -29.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.444 ' N ' ' C ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -87.36 -50.08 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.8 ' CE2' ' HB2' ' A' ' 7' ' ' ALA . 58.3 t80 -58.97 -45.3 90.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.677 HD12 HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -55.2 -42.3 73.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 5.0 ttpp -64.1 -13.41 47.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.15 -25.8 13.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.683 ' CB ' HG21 ' A' ' 20' ' ' VAL . . . -49.46 -51.08 38.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.5 p -51.47 -21.61 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.7 ' CGA' ' CE2' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -100.3 -59.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' -2' ' ' LYS . 3.5 t80 -66.22 138.95 58.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.6 ' O ' ' CZ ' ' A' ' -3' ' ' PHE . 1.1 tptm -88.45 161.4 17.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -86.96 163.96 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.556 ' CA ' HG21 ' A' ' 96' ' ' THR . . . -120.52 97.56 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -83.57 51.14 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 0.74 . . . . 0.0 109.974 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 4' ' ' LYS . . . 43.33 -164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 20.0 pttp 39.71 67.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 164.86 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.53 -41.33 5.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -59.79 -73.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.11 -29.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.014 HD22 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -65.21 -77.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.725 ' CD2' HD13 ' A' ' 15' ' ' LEU . 56.5 t80 -40.86 -27.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.74 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.5 ttmt -58.18 -44.45 88.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.9 p -122.38 146.43 47.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.438 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' O ' HMC3 ' A' ' 104' ' ' HEC . 4.5 mmt180 76.83 7.59 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.46 ' SG ' ' CAB' ' A' ' 104' ' ' HEC . 74.1 m -147.08 -66.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.74 HD22 ' HA ' ' A' ' 11' ' ' LYS . 1.5 tp -44.71 -34.86 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -48.94 -23.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.2 m -109.79 -56.1 2.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 126.795 3.188 . . . . 0.0 108.303 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -109.91 176.18 5.16 Favored 'General case' 0 C--N 1.381 1.95 0 O-C-N 118.178 -2.826 . . . . 0.0 115.127 -163.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.581 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -135.55 126.64 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 111.078 -2.783 . . . . 0.0 110.39 -179.392 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.782 ' CG2' ' HB1' ' A' ' 101' ' ' ALA . 4.1 p -86.6 -33.27 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.19 157.89 33.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.642 ' CD ' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -73.96 -170.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.57 59.61 1.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.28 126.57 5.43 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 124.64 8.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 18.7 m-70 -46.07 144.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -132.86 -94.18 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.581 ' O ' HMD3 ' A' ' 104' ' ' HEC . 45.3 t -95.74 -27.84 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.53 160.39 26.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.04 143.54 29.06 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.581 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.6 OUTLIER -52.95 133.21 38.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD11 ' CHB' ' A' ' 104' ' ' HEC . 10.0 mt -102.9 24.62 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' CE1' ' CD ' ' A' ' 22' ' ' LYS . 51.4 t-80 -80.59 94.86 6.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.25 57.74 0.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.563 1.164 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.751 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.3 pp -116.0 -161.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.751 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.6 m-85 59.65 116.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.82 27.32 6.72 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.547 ' O ' HD12 ' A' ' 58' ' ' LEU . 20.8 mmt180 -151.35 -173.63 4.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.626 ' NE2' HD13 ' A' ' 58' ' ' LEU . 5.1 m80 -106.48 155.87 19.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.64 ' HB3' HG12 ' A' ' 57' ' ' VAL . 77.5 p -39.56 129.4 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.593 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 102.54 76.5 1.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.517 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 20.4 mt-30 -111.44 35.13 3.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.625 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -142.17 134.82 28.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -110.59 91.29 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.51 -47.01 0.89 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 1.3 t80 -55.45 131.62 46.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -72.96 94.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.625 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 2.8 m-85 -77.99 175.45 10.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 p -101.7 173.97 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.51 23.21 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.33 -54.74 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 55' ' ' LYS . 24.2 t30 -63.2 -77.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 48' ' ' TYR . 15.9 mt -41.5 -34.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -87.75 43.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -141.94 -47.01 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 1.3 t-20 83.24 39.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.64 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.7 p -72.04 88.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.626 HD13 ' NE2' ' A' ' 39' ' ' HIS . 7.0 tp -63.09 99.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.557 ' CZ2' HAA1 ' A' ' 104' ' ' HEC . 43.5 m95 -62.09 118.59 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 108.007 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.563 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -136.44 -70.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -169.15 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -61.33 -35.64 77.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -63.09 -60.96 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 36' ' ' PHE . 29.1 ttm -53.62 -42.77 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.518 ' OG ' HD11 ' A' ' 95' ' ' ILE . 29.1 t -51.48 -44.83 62.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.05 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -61.26 -37.83 84.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.576 ' CE1' HG13 ' A' ' 75' ' ' ILE . 15.4 t80 -73.27 -35.16 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.435 HD22 ' C2B' ' A' ' 104' ' ' HEC . 24.8 mt -67.72 -47.62 68.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.1 t -68.56 -44.11 75.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -130.17 73.86 80.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.496 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -30.44 7.22 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.467 1.772 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.469 ' CM2' ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.953 0 O-C-N 127.654 3.096 . . . . 0.0 116.595 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -97.09 -71.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.289 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -38.42 -49.15 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 67' ' ' TYR . 6.6 mm -102.33 107.2 52.44 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 99.97 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.446 1.761 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.8 54.0 1.58 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.452 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.8 t -106.0 115.01 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -52.22 -22.5 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.561 ' HE1' ' NB ' ' A' ' 104' ' ' HEC . 21.4 ttt -59.85 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.598 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -89.81 78.03 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -106.73 135.64 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -38.46 -55.13 2.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.13 104.03 2.7 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' A' ' 91' ' ' ARG . 83.2 mt -50.53 179.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' O ' ' NH2' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -162.59 -48.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -69.35 88.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.5 mt-10 -40.39 -31.31 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -65.54 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.01 -44.86 83.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.554 ' HG2' HD13 ' A' ' 85' ' ' LEU . 10.4 mtm180 -54.22 -42.3 69.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 84.2 m-20 -66.99 -49.19 66.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -49.45 -49.47 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.014 HD12 HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -72.88 -55.84 6.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.518 HD11 ' OG ' ' A' ' 65' ' ' SER . 26.0 mt -39.42 -30.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.556 HG21 ' CA ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -83.88 -50.36 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 94' ' ' LEU . 54.3 t80 -63.76 -49.88 71.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.883 HD12 HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -50.77 -40.83 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -35.96 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' GLU . 14.4 ttmm -82.25 -44.17 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.782 ' HB1' ' CG2' ' A' ' 20' ' ' VAL . . . -40.23 -41.24 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -27.81 17.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 100' ' ' LYS . 7.3 pt-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 1.46 ' CAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' -4' ' ' GLU . 4.3 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' -5' ' ' THR . 1.6 mp0 -113.96 -59.26 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -176.04 149.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -118.64 138.14 52.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.05 156.07 24.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -138.93 -63.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 3.2 p 79.88 106.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 110.035 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.15 67.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.55 51.27 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.72 59.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.98 -49.03 1.52 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -61.87 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.739 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -28.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.951 HD22 ' CD1' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -80.93 -76.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.68 ' HB2' HD21 ' A' ' 94' ' ' LEU . 58.1 t80 -39.59 -53.4 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.9 tptt -39.92 -29.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.561 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -122.56 127.31 49.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.561 ' CB ' ' O ' ' A' ' 12' ' ' THR . 2.0 mmt180 89.26 19.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.4 m -155.56 -64.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.6 mp -43.64 -37.32 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -45.78 -25.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.623 ' SG ' HG11 ' A' ' 28' ' ' VAL . 99.3 m -117.87 -60.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 126.904 3.24 . . . . 0.0 108.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -100.58 149.35 23.82 Favored 'General case' 0 C--N 1.382 1.993 0 O-C-N 118.109 -2.869 . . . . 0.0 115.122 -163.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.7 p -124.91 124.48 42.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 111.096 -2.774 . . . . 0.0 110.408 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.056 HG21 ' HB1' ' A' ' 101' ' ' ALA . 2.5 p -85.64 -7.06 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 3.4 mt-10 -77.47 156.11 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.601 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -71.62 179.26 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.73 58.58 5.35 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.17 118.75 5.96 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.92 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 27.0 m-70 72.44 126.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.547 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 -100.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.727 ' O ' HMD3 ' A' ' 104' ' ' HEC . 82.9 t -87.23 -34.56 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.51 161.79 23.68 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.4 Cg_endo -74.99 134.31 17.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.556 1.819 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 2.4 m120 -47.46 119.15 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD11 ' CHB' ' A' ' 104' ' ' HEC . 22.5 mt -66.82 -48.27 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.606 ' CG ' ' O ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -37.51 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.67 -20.6 4.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.692 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 2.8 pp -66.21 -166.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 0.777 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 2.6 m-85 57.92 107.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.46 4.66 8.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 34.9 mmt180 -150.28 -168.22 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' CE1' HD13 ' A' ' 58' ' ' LEU . 1.5 m80 -101.3 174.44 5.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.614 ' HB3' HG12 ' A' ' 57' ' ' VAL . 57.7 p -49.25 131.61 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 95.05 78.51 1.42 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 35' ' ' ILE . 10.5 mt-30 -111.5 23.35 14.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.501 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -125.71 137.65 53.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -114.39 -11.47 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.5 3.77 37.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -123.25 128.78 50.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -75.05 127.47 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 5.2 m-85 -104.13 -172.09 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 p -117.79 -171.39 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.1 24.32 10.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.85 -56.74 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' LYS . 36.3 t-20 -59.92 -73.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 52' ' ' ASN . 20.6 mt -39.78 -33.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -86.46 46.54 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -129.55 -45.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.49 32.61 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.7 p -75.5 92.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.509 HD13 ' CE1' ' A' ' 39' ' ' HIS . 3.9 tp -64.78 99.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.588 ' CZ2' HAA1 ' A' ' 104' ' ' HEC . 45.1 m95 -61.0 114.92 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.026 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' C ' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -136.79 -66.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -175.93 -76.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -59.06 -46.52 88.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.413 HD21 HG23 ' A' ' 57' ' ' VAL . 18.1 t30 -54.02 -56.09 21.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.62 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 3.5 tpp -48.69 -36.2 15.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 5.8 t -57.88 -33.57 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.02 -50.33 29.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.519 ' HE1' HD12 ' A' ' 75' ' ' ILE . 56.4 t80 -42.89 -42.06 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' THR . 20.7 mt -74.54 -170.36 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.5 OUTLIER 77.55 -53.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.501 ' N ' HG22 ' A' ' 69' ' ' THR . 1.8 m-20 -148.6 82.15 7.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.4 8.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.475 ' CM2' ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.962 0 O-C-N 127.711 3.132 . . . . 0.0 116.549 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -58.55 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.035 -1.439 . . . . 0.0 109.265 175.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -42.99 -57.31 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.57 HG22 ' HB ' ' A' ' 78' ' ' THR . 79.2 mt -111.52 97.93 38.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 93.05 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.34 39.89 0.46 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.57 ' HB ' HG22 ' A' ' 75' ' ' ILE . 8.2 t -110.57 112.27 24.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -44.87 -26.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.49 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.1 ttt -57.13 90.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HA ' ' CM2' ' A' ' 72' ' ' M3L . . . -88.1 72.47 9.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.752 ' HZ ' HD23 ' A' ' 85' ' ' LEU . 11.2 t80 -117.35 106.92 13.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.06 -55.39 6.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.568 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 113.01 131.39 5.48 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.844 HD11 ' HG2' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -71.42 -25.5 62.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.78 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 50.68 36.96 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.167 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -127.18 71.14 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -38.34 -44.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.93 -58.12 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.61 -37.79 87.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.844 ' HG2' HD11 ' A' ' 85' ' ' LEU . 19.0 mtm180 -60.19 -42.26 94.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -50.41 -38.06 41.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -67.75 -53.87 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.951 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -55.87 -63.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.2 mt -40.08 -40.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.07 -50.24 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.501 ' CE2' ' HB2' ' A' ' 101' ' ' ALA . 60.6 t80 -71.13 -40.68 71.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.784 ' CD1' HD23 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -53.79 -49.31 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -44.66 -37.94 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -86.73 -51.75 5.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.056 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -44.27 -37.5 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.6 m -92.01 -26.9 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' LYS . 15.7 pt-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.727 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.46 60.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.444 ' CE1' HG22 ' A' ' 95' ' ' ILE . 10.0 t80 -96.68 145.45 25.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.416 ' CB ' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -112.03 131.44 55.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -81.91 156.33 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' N ' ' OG1' ' A' ' 96' ' ' THR . . . -137.66 -134.6 3.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -157.17 172.28 18.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.952 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.37 54.03 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -172.42 59.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 93' ' ' ASP . . . -90.88 -40.26 5.61 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.41 -55.99 5.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -38.78 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.71 ' HB3' HD23 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -61.05 -75.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.67 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 51.6 t80 -44.17 -25.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.0 tmtt? -52.8 -53.91 41.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.1 p -125.02 30.33 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.524 ' HB2' HD23 ' A' ' 9' ' ' LEU . 4.5 mmt85 -144.76 40.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER 171.53 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.284 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -45.92 -36.37 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -49.75 -22.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.25 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.441 ' SG ' HG11 ' A' ' 28' ' ' VAL . 80.2 m -121.34 -60.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 126.853 3.216 . . . . 0.0 108.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' CE1' HD11 ' A' ' 32' ' ' LEU . 93.0 m-70 -104.43 154.4 19.91 Favored 'General case' 0 C--N 1.382 1.979 0 O-C-N 118.114 -2.866 . . . . 0.0 115.142 -163.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.7 p -120.4 87.95 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 111.108 -2.769 . . . . 0.0 110.379 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.853 HG23 ' HB1' ' A' ' 101' ' ' ALA . 3.4 p -48.45 -36.52 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.6 mt-10 -43.48 166.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -86.17 159.4 19.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.87 57.46 3.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.98 143.36 16.17 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.84 8.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 23.2 m-70 -53.99 116.4 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -106.32 -103.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.537 ' O ' HMD3 ' A' ' 104' ' ' HEC . 85.5 t -81.5 -37.24 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.1 170.14 22.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.97 139.13 24.01 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -39.41 155.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD11 ' CE1' ' A' ' 18' ' ' HIS . 57.1 mt -130.53 51.53 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.601 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -59.46 -131.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 102' ' ' SER . . . -78.18 55.78 3.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.446 HD13 ' O ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -60.36 -152.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 0.0 109.345 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 64' ' ' MET . 3.6 m-30 56.61 115.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.84 24.18 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.466 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 48.3 mmt-85 -149.1 -173.83 4.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.741 ' CE1' HD13 ' A' ' 58' ' ' LEU . 13.3 m80 -105.44 159.86 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -38.92 131.22 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 91.58 86.04 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 29.2 mt-30 -106.35 29.76 6.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.15 125.6 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.83 -43.68 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.32 95.52 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -81.96 124.54 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.5 p -79.29 118.74 21.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.606 ' HB2' HD11 ' A' ' 53' ' ' ILE . 5.4 m-85 -93.35 177.2 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.5 p -93.51 179.29 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.55 22.2 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB1' HG22 ' A' ' 75' ' ' ILE . . . -104.84 -62.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.434 ' HA ' HD12 ' A' ' 75' ' ' ILE . 64.0 t30 -61.61 -66.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 48' ' ' TYR . 67.1 mt -43.24 -39.71 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -87.06 46.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' NZ ' ' CZ ' ' A' ' 74' ' ' TYR . 2.0 tptm -138.74 -47.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.2 33.05 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.772 HG11 ' CH2' ' A' ' 59' ' ' TRP . 9.8 p -73.81 98.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.741 HD13 ' CE1' ' A' ' 39' ' ' HIS . 5.2 tp -63.32 110.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.772 ' CH2' HG11 ' A' ' 57' ' ' VAL . 32.1 m95 -70.72 123.21 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 7.6 t0 -127.58 -70.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 18.8 tt0 -178.08 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.487 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -90.73 -62.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.659 HD22 HG22 ' A' ' 57' ' ' VAL . 6.8 p-10 -40.07 -42.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -50.32 -55.47 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -47.29 -44.53 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -52.23 -43.82 64.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.507 ' CD2' ' HE2' ' A' ' 64' ' ' MET . 12.9 t80 -73.27 -57.91 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.8 mt -42.18 -41.15 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -61.53 -54.39 43.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.467 ' N ' HG22 ' A' ' 69' ' ' THR . 4.6 m-80 -133.24 73.75 73.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.0 -29.48 8.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.807 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.754 HM21 ' CB ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.959 0 O-C-N 127.638 3.086 . . . . 0.0 116.576 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.63 -69.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.075 -1.421 . . . . 0.0 109.297 175.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CZ ' ' NZ ' ' A' ' 55' ' ' LYS . 38.1 t80 -38.1 -51.17 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.56 HG22 ' HB1' ' A' ' 51' ' ' ALA . 16.5 mm -92.97 112.14 54.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.413 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.07 91.02 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.38 57.18 0.8 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.7 t -98.91 109.9 22.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -27.51 19.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.523 ' HG3' ' C4C' ' A' ' 104' ' ' HEC . 14.3 ttt -63.06 97.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.754 ' CB ' HM21 ' A' ' 72' ' ' M3L . . . -90.09 75.7 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -103.03 -68.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.55 -70.58 0.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.72 156.49 7.66 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 6.4 mt -89.89 -59.41 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER 84.46 -54.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -64.54 84.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 91' ' ' ARG . 2.3 mt-10 -40.61 -39.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -60.54 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' CG ' HD12 ' A' ' 9' ' ' LEU . 6.1 m-20 -62.76 -40.56 97.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CZ ' ' HG3' ' A' ' 88' ' ' GLU . 10.4 mtm180 -54.49 -40.22 68.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.416 ' ND2' ' CB ' ' A' ' -2' ' ' LYS . 95.9 m-20 -65.21 -53.18 48.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' HB3' ' CA ' ' A' ' 6' ' ' GLY . 50.7 m-20 -53.33 -49.26 67.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.71 HD23 ' HB3' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -59.06 -61.58 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.444 HG22 ' CE1' ' A' ' -3' ' ' PHE . 45.8 mt -49.53 -42.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -44.59 -48.81 10.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.401 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -89.72 -37.9 14.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.6 HD23 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -57.35 -32.77 67.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 21.8 ttpp -36.8 -34.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -126.14 -62.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.853 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . 76.05 -5.47 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.601 ' OG ' ' CE1' ' A' ' 33' ' ' HIS . 1.5 t -94.17 -44.62 7.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.537 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -149.67 68.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.489 ' CG ' ' N ' ' A' ' -2' ' ' LYS . 11.1 t80 56.48 162.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.489 ' N ' ' CG ' ' A' ' -3' ' ' PHE . 0.1 OUTLIER -127.32 131.06 50.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -92.28 156.05 17.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 169.93 71.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.469 ' CB ' HG22 ' A' ' 96' ' ' THR . 0.9 OUTLIER -129.43 -71.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.046 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 5' ' ' LYS . . . 40.0 -156.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 72.45 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 3' ' ' ALA . 56.6 tttt -170.93 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.55 -26.91 23.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -45.34 -36.52 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -24.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.003 HD22 HD22 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -65.42 -76.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CE2' ' HB ' ' A' ' 20' ' ' VAL . 40.6 t80 -42.26 -38.19 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.47 -39.02 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.6 p -131.34 155.42 47.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.665 ' O ' HMC3 ' A' ' 104' ' ' HEC . 5.4 mmt180 75.98 9.83 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.8 m -151.0 -62.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.17 -38.69 12.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -51.09 -22.82 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.352 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.47 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 83.2 m -113.69 -59.55 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 126.889 3.233 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.723 ' CG ' HD11 ' A' ' 32' ' ' LEU . 96.9 m-70 -105.34 147.38 28.23 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 118.138 -2.852 . . . . 0.0 115.082 -163.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.5 p -110.62 102.43 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.38 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.791 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.7 p -50.57 -46.56 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -50.38 164.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.534 ' HD3' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -89.36 178.91 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.12 54.1 3.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.68 148.34 19.21 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.33 21.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.566 1.824 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 34.5 m-70 70.53 133.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -117.67 -96.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.692 ' O ' HMD3 ' A' ' 104' ' ' HEC . 92.8 t -89.72 -23.94 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.68 167.81 25.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' CG ' ' O1A' ' A' ' 104' ' ' HEC . 18.2 Cg_endo -75.04 162.5 36.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 3.7 t-20 -61.26 148.35 41.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.723 HD11 ' CG ' ' A' ' 18' ' ' HIS . 14.0 mt -116.69 32.85 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CE1' ' HD3' ' A' ' 22' ' ' LYS . 12.3 t-80 -70.17 112.67 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' N ' ' OG ' ' A' ' 102' ' ' SER . . . 45.61 89.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -112.08 -32.24 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' N ' HG12 ' A' ' 35' ' ' ILE . 47.1 m-85 -61.89 74.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 156.21 -22.57 0.51 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 11.0 mmt85 -94.35 171.75 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -97.77 153.59 18.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.434 ' HB3' HG23 ' A' ' 57' ' ' VAL . 94.7 p -37.17 120.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.562 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 89.04 110.5 1.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.421 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 29.9 mt-30 -139.26 27.67 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -110.33 129.41 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -112.6 90.57 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.67 -46.49 1.0 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 10.9 t80 -74.9 123.64 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 0.801 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.445 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 60.1 p -59.27 132.81 55.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -107.98 -178.41 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -96.36 163.86 12.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.57 21.94 8.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -111.37 -50.78 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.4 t-20 -66.68 -70.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' ASN . 36.3 mt -39.35 -33.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' ASN . 15.4 mmtp -86.57 46.39 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' HA ' ' CE ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -141.49 -47.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 56.97 85.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.904 HG11 ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -129.83 101.31 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.2 tp -62.94 78.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' LEU . 56.2 m95 -32.31 133.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 107.992 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -122.81 -72.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -163.4 -70.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -70.32 -29.78 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 65' ' ' SER . 3.1 t30 -47.07 -72.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 33.3 ttm -39.77 -28.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.511 ' HB2' HD11 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -64.34 -51.97 60.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.652 ' O ' HG22 ' A' ' 69' ' ' THR . 2.7 tp10 -47.05 -48.01 22.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.904 ' OH ' HG11 ' A' ' 57' ' ' VAL . 25.0 m-85 -75.08 -45.91 38.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 68' ' ' LEU . 9.9 mt -48.77 -24.69 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -95.86 -28.22 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' TYR . 10.8 t-20 -146.85 71.03 12.42 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.0 -29.42 8.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.634 HM33 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.937 0 O-C-N 127.643 3.09 . . . . 0.0 116.62 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -107.79 -57.18 2.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.298 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.792 ' CD2' ' CE1' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -60.02 -50.46 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.962 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.2 mt -94.11 111.82 54.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.433 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.02 108.77 2.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.33 53.27 3.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 78' ' ' THR . 5.6 t -91.46 108.43 19.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -46.78 -25.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.506 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 16.0 ttt -57.84 91.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.665 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -86.01 81.59 8.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -120.08 134.13 55.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -48.57 -60.35 5.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.42 118.77 2.75 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 mt -56.66 -167.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -170.34 -39.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 6.9 mmmm -73.7 92.77 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -34.67 -61.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -57.39 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.46 -35.47 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.651 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.1 mtm180 -73.21 -39.62 65.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -62.6 -46.98 85.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 96' ' ' THR . 17.1 m-20 -53.72 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.003 HD22 HD22 ' A' ' 9' ' ' LEU . 12.7 tp -46.56 -65.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 91' ' ' ARG . 19.2 mt -40.27 -31.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.469 HG22 ' CB ' ' A' ' 2' ' ' SER . 0.6 OUTLIER -79.48 -50.79 10.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.652 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 46.5 t80 -64.1 -48.32 76.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.549 HD13 ' HG ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -52.41 -48.95 65.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -45.61 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -74.38 -48.34 28.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.791 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -51.04 -43.42 60.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.368 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -66.69 -24.01 66.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.692 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' -5' ' ' THR . 9.5 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' -3' ' ' PHE . 3.6 tp10 -176.15 -59.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.474 ' CG ' ' O ' ' A' ' -3' ' ' PHE . 0.8 OUTLIER -37.84 102.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.422 ' HB2' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -60.65 123.79 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 1' ' ' GLY . . . -81.98 153.54 26.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.521 ' HA2' HG21 ' A' ' 96' ' ' THR . . . 39.23 93.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.61 ' HG ' ' N ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -128.98 42.21 3.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.006 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' SER . . . -37.91 102.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 1.5 mttp -154.03 43.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 88.38 54.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.95 -41.73 4.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.653 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -54.95 -55.39 31.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -18.36 16.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.741 HD22 ' CD2' ' A' ' 94' ' ' LEU . 2.8 tt -70.25 -76.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 62.8 t80 -40.37 -44.59 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.2 tppt? -40.05 -35.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 9' ' ' LEU . 67.7 p -126.2 154.09 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.465 ' O ' HMC3 ' A' ' 104' ' ' HEC . 18.6 mmt-85 73.31 10.42 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.1 m -153.98 -68.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.69 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -41.16 -45.55 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -39.08 -29.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.532 ' SG ' HG11 ' A' ' 28' ' ' VAL . 72.3 m -106.42 -56.31 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 126.842 3.211 . . . . 0.0 108.266 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -104.29 175.96 5.31 Favored 'General case' 0 C--N 1.381 1.968 0 O-C-N 118.179 -2.826 . . . . 0.0 115.091 -163.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.473 HG23 ' CG ' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -142.19 141.85 32.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.378 -179.392 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG21 ' HB1' ' A' ' 101' ' ' ALA . 2.1 p -93.94 -40.42 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.03 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 1.7 tttm -105.34 155.83 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.85 -38.28 3.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' ND2' ' A' ' 31' ' ' ASN . . . -37.69 135.03 0.99 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.58 7.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 27.6 m-70 -93.6 133.12 37.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.633 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -119.8 -99.22 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.977 ' O ' HMD3 ' A' ' 104' ' ' HEC . 76.6 t -94.38 -24.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.59 158.14 25.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 18.3 Cg_endo -75.01 145.61 31.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.473 ' CG ' HG23 ' A' ' 19' ' ' THR . 0.5 OUTLIER -57.17 128.25 36.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HB3' HD12 ' A' ' 35' ' ' ILE . 35.9 mt -84.04 -63.4 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 0.8 OUTLIER 70.15 -131.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.574 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -93.78 60.69 2.05 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.63 -147.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' A' ' 35' ' ' ILE . 62.6 m-85 57.05 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.07 29.88 5.62 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 8.7 mmt-85 -150.78 -176.38 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' OD1' ' A' ' 56' ' ' ASN . 1.5 m170 -105.17 163.48 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.741 ' HB3' HG12 ' A' ' 57' ' ' VAL . 78.9 p -47.95 130.71 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.564 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 91.39 85.67 1.45 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 37.5 mt-30 -103.88 27.48 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 0.795 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.56 131.58 8.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -95.86 -48.52 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.22 -46.67 8.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.6 t80 -69.11 133.74 48.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 0.738 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 p -77.77 119.22 20.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CE2' ' O1A' ' A' ' 104' ' ' HEC . 6.1 m-85 -99.86 -173.81 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.1 p -115.03 -153.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.38 22.32 12.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.1 -64.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LYS . 20.9 t30 -58.53 -72.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ASN . 19.9 mt -40.03 -38.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -87.11 46.74 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' ASN . 11.6 tptt -139.79 -48.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.583 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 65.88 34.48 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.741 HG12 ' HB3' ' A' ' 40' ' ' SER . 3.2 p -68.18 92.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.549 HD13 ' NE2' ' A' ' 39' ' ' HIS . 6.9 tp -57.61 114.35 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.44 ' CZ2' HG13 ' A' ' 57' ' ' VAL . 56.9 m95 -78.15 127.77 32.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -140.07 -65.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 3.0 tt0 -168.35 -72.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -57.91 -64.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.736 HD21 HG22 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -40.19 -58.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.803 ' SD ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -37.81 -34.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.622 ' OG ' HD11 ' A' ' 95' ' ' ILE . 2.7 t -81.72 -45.35 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.543 ' OE2' ' CD1' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -46.48 -24.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.797 ' CE1' HD12 ' A' ' 75' ' ' ILE . 56.5 t80 -93.65 -59.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.803 HD11 ' SD ' ' A' ' 64' ' ' MET . 33.0 mt -41.56 -43.47 2.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 70' ' ' ASN . 15.3 t -59.37 -49.86 76.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.419 ' N ' ' CG2' ' A' ' 69' ' ' THR . 1.0 OUTLIER -139.73 76.26 29.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.02 -29.53 8.1 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.556 HM31 ' HB1' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.926 0 O-C-N 127.638 3.087 . . . . 0.0 116.634 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -90.5 -67.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.324 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CD1' ' OE2' ' A' ' 66' ' ' GLU . 19.4 t80 -40.11 -46.89 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.797 HD12 ' CE1' ' A' ' 67' ' ' TYR . 73.5 mt -114.59 92.3 28.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 82.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.05 44.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.52 ' HB ' HG22 ' A' ' 75' ' ' ILE . 7.1 t -112.54 114.88 27.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.428 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -23.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.52 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.7 ttt -60.1 92.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.556 ' HB1' HM31 ' A' ' 72' ' ' M3L . . . -91.2 76.77 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.583 ' HD2' ' HHC' ' A' ' 104' ' ' HEC . 16.8 t80 -105.72 145.81 30.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.452 ' O ' ' CE1' ' A' ' 82' ' ' PHE . . . -72.06 99.93 0.9 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -37.53 104.36 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.97 -170.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -169.58 -42.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -54.86 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.8 pt-20 -38.26 -59.73 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.356 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ASN . 5.9 mttp -43.42 -59.72 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.09 -32.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' GLU . 9.6 mtm180 -89.2 -40.05 13.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' -2' ' ' LYS . 97.9 m-20 -49.06 -46.67 44.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.61 ' N ' ' HG ' ' A' ' 2' ' ' SER . 0.4 OUTLIER -70.41 -58.53 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.741 ' CD2' HD22 ' A' ' 9' ' ' LEU . 3.3 tp -42.72 -69.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.622 HD11 ' OG ' ' A' ' 65' ' ' SER . 9.3 mt -41.96 -28.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.521 HG21 ' HA2' ' A' ' 1' ' ' GLY . 0.3 OUTLIER -81.33 -45.66 15.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.653 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 54.3 t80 -72.71 -47.18 49.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -45.02 -47.66 11.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -66.1 -33.58 76.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -67.79 -55.99 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.401 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -65.73 -44.48 85.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 75.4 m -60.36 -32.86 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.977 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' -5' ' ' THR . 20.0 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' -3' ' ' PHE . 4.7 tt0 -177.65 -58.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' -4' ' ' GLU . 9.7 t80 56.74 113.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 100.81 12.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -40.53 156.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -127.65 -110.26 1.59 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -167.62 153.3 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.93 176.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.77 77.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.04 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.37 -37.85 6.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -41.4 -68.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -29.22 27.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.709 HD11 ' OD2' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -67.03 -76.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 82.8 t80 -39.3 -43.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HA ' HD22 ' A' ' 15' ' ' LEU . 3.3 ttmt -40.15 -38.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' LEU . 68.7 p -124.95 151.99 44.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 10.1 mmt180 75.88 13.83 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.743 ' SG ' ' HAB' ' A' ' 104' ' ' HEC . 3.3 m -156.49 -66.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.351 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.573 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.9 tp -41.75 -40.9 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -41.95 -27.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.459 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 61.6 m -113.23 -61.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 126.916 3.246 . . . . 0.0 108.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.543 ' CE1' HD21 ' A' ' 32' ' ' LEU . 94.9 m-70 -96.97 157.75 15.75 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 118.14 -2.85 . . . . 0.0 115.124 -163.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.414 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 25.0 p -113.99 119.79 38.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 111.131 -2.758 . . . . 0.0 110.352 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 2.3 p -67.55 -36.59 76.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -78.13 -154.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 3.1 tttt -120.63 -42.53 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.98 63.84 0.35 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' LYS . . . -151.98 126.58 2.08 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.56 8.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.552 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 40.8 m-70 -39.86 132.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.37 -98.86 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.817 ' O ' HMD3 ' A' ' 104' ' ' HEC . 56.2 t -91.79 -24.65 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.92 161.19 25.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' CG ' ' O2A' ' A' ' 104' ' ' HEC . 18.3 Cg_endo -74.93 159.03 42.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 3.4 t-20 -61.88 146.66 49.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 18' ' ' HIS . 8.4 mt -111.74 36.37 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -65.4 94.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.56 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.77 93.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.726 HD13 ' H ' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -106.56 -36.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 14.6 m-85 -60.55 75.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 160.52 -25.19 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 10.4 mmt180 -96.22 172.37 8.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -100.71 155.48 17.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' HG23 ' A' ' 57' ' ' VAL . 88.3 p -37.82 119.64 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.57 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 89.91 110.89 1.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 36.6 mt-30 -137.27 23.25 2.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.615 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -136.15 127.36 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -100.19 -54.62 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.64 -42.78 20.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 19.2 t80 -89.69 121.94 32.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 p -61.17 137.98 58.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.615 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -109.17 -176.08 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -97.82 161.44 13.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.3 20.15 6.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.16 -56.37 2.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 43.7 t30 -63.71 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.1 mt -41.05 -35.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -87.01 46.81 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HG3' ' CD1' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -139.26 -51.39 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.87 86.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -133.43 103.57 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.0 OUTLIER -62.41 79.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.578 ' CE3' ' HE3' ' A' ' 64' ' ' MET . 57.8 m95 -33.98 123.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.574 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -121.34 -66.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.544 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 15.4 tt0 179.21 -36.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.7 -62.24 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.423 ' CG ' ' N ' ' A' ' 64' ' ' MET . 5.7 p-10 -41.07 -40.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.578 ' HE3' ' CE3' ' A' ' 59' ' ' TRP . 4.0 ttm -64.1 -59.45 4.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.474 ' HB2' HD11 ' A' ' 95' ' ' ILE . 53.8 p -46.08 -42.23 13.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 69' ' ' THR . 10.7 tt0 -56.73 -35.81 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.653 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 6.6 t80 -83.92 -47.23 11.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.577 HD11 ' HG2' ' A' ' 64' ' ' MET . 82.0 mt -43.45 -42.92 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 66' ' ' GLU . 4.7 t -71.63 -44.53 64.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -126.26 73.75 72.63 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.653 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -75.02 -33.23 4.71 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.79 HM32 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.948 0 O-C-N 127.621 3.076 . . . . 0.0 116.606 -178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.99 -68.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.311 175.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.442 ' OH ' HG11 ' A' ' 57' ' ' VAL . 25.5 t80 -38.03 -49.72 1.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.417 ' CD1' ' HG3' ' A' ' 55' ' ' LYS . 21.9 mm -104.84 112.44 65.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 96.57 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.55 50.38 1.31 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.7 t -90.99 113.22 25.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 110.376 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -20.84 24.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.51 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 13.2 ttt -67.59 97.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.79 ' HA ' HM32 ' A' ' 72' ' ' M3L . . . -90.62 76.9 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -114.05 146.48 40.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.87 104.67 2.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.53 118.11 1.34 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 7.7 mt -66.25 -50.72 62.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER 51.5 31.36 7.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.499 ' N ' ' HE ' ' A' ' 91' ' ' ARG . 29.6 mmtt -127.45 86.02 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 2.4 mt-10 -38.41 -32.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -51.91 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.709 ' OD2' HD11 ' A' ' 9' ' ' LEU . 4.1 m-20 -67.91 -55.64 12.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.499 ' HE ' ' N ' ' A' ' 87' ' ' LYS . 30.4 mtm180 -38.97 -48.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 78.8 m-20 -60.08 -56.85 16.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' HB ' ' A' ' 96' ' ' THR . 85.4 m-20 -49.63 -55.2 14.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.514 HD21 ' CBB' ' A' ' 104' ' ' HEC . 9.1 tp -46.34 -67.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 65' ' ' SER . 20.2 mt -40.47 -52.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -44.08 -50.61 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.823 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 9.8 t80 -76.13 -46.99 26.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.607 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -43.45 -52.66 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -40.8 -48.72 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -78.11 -46.44 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.823 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -46.98 -49.57 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.4 p -81.77 -30.74 32.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 1.743 ' HAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -158.9 74.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.531 ' CE1' ' O ' ' A' ' -2' ' ' LYS . 4.1 t80 -41.14 143.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.531 ' O ' ' CE1' ' A' ' -3' ' ' PHE . 0.0 OUTLIER -112.32 168.68 9.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -67.23 160.78 26.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 96' ' ' THR . . . -123.43 100.8 0.67 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.535 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 1.9 t -39.27 -34.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 73.71 46.12 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.69 14.22 11.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' NZ ' ' OD2' ' A' ' 93' ' ' ASP . 9.3 pttp -177.2 43.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.23 -51.64 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.18 -63.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.58 -22.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.068 HD22 HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -67.23 -77.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.85 ' CD2' HD13 ' A' ' 15' ' ' LEU . 10.8 t80 -41.22 -37.0 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -51.75 -38.8 56.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -126.79 128.26 46.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.591 ' CB ' ' O ' ' A' ' 12' ' ' THR . 2.5 mmt180 91.2 16.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 84.1 m -157.54 -74.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.85 HD13 ' CD2' ' A' ' 10' ' ' PHE . 1.2 tp -44.43 -42.11 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -38.86 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.468 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 86.0 m -110.92 -57.17 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 126.8 3.191 . . . . 0.0 108.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.485 ' CD2' HD11 ' A' ' 32' ' ' LEU . 97.8 m-70 -103.9 176.19 5.23 Favored 'General case' 0 C--N 1.381 1.938 0 O-C-N 118.179 -2.826 . . . . 0.0 115.077 -163.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.695 HG23 ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -144.19 122.98 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 111.082 -2.781 . . . . 0.0 110.419 -179.393 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.839 HG21 ' HB1' ' A' ' 101' ' ' ALA . 8.7 p -78.61 -38.45 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.2 mt-10 -42.86 165.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 52.0 tttt -72.4 -76.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.12 58.61 0.57 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.52 124.22 8.17 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.63 15.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 46' ' ' TYR . 43.9 m-70 -63.06 124.45 21.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -110.0 -102.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.475 ' O ' HMD3 ' A' ' 104' ' ' HEC . 78.3 t -81.6 -24.64 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.17 174.78 25.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.97 154.04 42.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.695 ' OD1' HG23 ' A' ' 19' ' ' THR . 0.8 OUTLIER -53.63 153.63 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CD1' ' CHB' ' A' ' 104' ' ' HEC . 74.9 mt -121.49 46.55 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -60.08 -128.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.39 58.34 4.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -68.8 -37.27 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.584 0.814 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 13.7 m-85 -60.82 76.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ILE . . . 149.0 -17.93 1.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -94.88 -177.02 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -112.25 155.66 23.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.601 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.674 ' HB3' HG12 ' A' ' 57' ' ' VAL . 94.2 p -38.87 126.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 79.67 108.5 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -136.44 10.1 3.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' A' ' 48' ' ' TYR . . . -100.03 142.02 32.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.61 -72.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.98 -35.5 32.61 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.469 1.105 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 2.5 t80 -78.98 129.65 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 p -72.23 -26.05 61.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 0.2 OUTLIER 64.9 -170.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.49 ' CG2' ' O2D' ' A' ' 104' ' ' HEC . 79.3 p -98.78 149.3 23.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.46 14.76 12.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 77' ' ' GLY . . . -108.15 -40.81 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -79.08 -51.28 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.542 HD11 ' CB ' ' A' ' 48' ' ' TYR . 70.6 mt -52.98 -39.99 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.242 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -86.56 46.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -137.76 -46.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.599 ' OD1' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER 76.8 32.39 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.674 HG12 ' HB3' ' A' ' 40' ' ' SER . 3.4 p -71.22 91.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.568 HD12 ' CG ' ' A' ' 39' ' ' HIS . 4.9 tp -67.38 96.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.419 ' CZ2' HAA1 ' A' ' 104' ' ' HEC . 22.3 m95 -59.1 145.19 43.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 1.3 t0 -145.98 -61.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HG2' HG23 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -178.73 -77.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -61.04 -37.7 83.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.438 HD21 ' CG2' ' A' ' 57' ' ' VAL . 10.3 t30 -53.29 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.633 ' HE1' HMA1 ' A' ' 104' ' ' HEC . 2.3 ttm -36.67 -50.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.798 ' OG ' HD11 ' A' ' 95' ' ' ILE . 14.4 t -42.07 -50.19 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 69' ' ' THR . 15.7 tt0 -57.57 -41.12 80.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.599 ' CD1' HD12 ' A' ' 75' ' ' ILE . 3.3 t80 -75.34 -26.85 58.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.561 HD11 ' SD ' ' A' ' 64' ' ' MET . 94.5 mt -65.45 -46.69 78.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 66' ' ' GLU . 3.4 t -68.08 -43.14 79.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -129.43 71.29 82.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.02 -29.35 8.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.806 HM32 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.955 0 O-C-N 127.653 3.095 . . . . 0.0 116.59 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -89.57 -66.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.308 175.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CD2' HG13 ' A' ' 75' ' ' ILE . 87.7 t80 -37.49 -52.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 67' ' ' TYR . 9.6 mt -111.28 107.41 57.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 85.07 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 51' ' ' ALA . . . 130.9 42.14 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.1 t -98.87 113.54 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -62.02 -14.4 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.526 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 13.4 ttt -59.98 94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.806 ' HA ' HM32 ' A' ' 72' ' ' M3L . . . -85.11 64.46 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -105.43 144.74 31.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.31 104.01 1.99 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 69' ' ' THR . . . -42.72 113.07 0.56 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.58 -171.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -162.72 -51.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -54.23 90.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -44.32 -27.15 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -69.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.538 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.3 m-20 -57.86 -49.27 77.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.734 ' O ' HD12 ' A' ' 95' ' ' ILE . 61.5 mtp180 -44.19 -41.29 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' -2' ' ' LYS . 78.4 m-20 -72.99 -63.28 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.449 ' OD2' ' NZ ' ' A' ' 5' ' ' LYS . 68.8 m-20 -42.1 -48.55 4.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.068 HD13 HD22 ' A' ' 9' ' ' LEU . 9.5 tp -56.71 -69.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.798 HD11 ' OG ' ' A' ' 65' ' ' SER . 18.4 mt -39.71 -50.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.459 ' CB ' ' HA3' ' A' ' 1' ' ' GLY . 0.7 OUTLIER -45.2 -49.84 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 10.8 t80 -76.95 -47.64 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -54.39 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 103' ' ' GLU . 7.5 tmtt? -47.53 -43.99 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -71.35 -50.1 35.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.839 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -52.73 -54.33 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 t -73.5 -26.75 61.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' LYS . 18.7 pt-20 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.633 HMA1 ' HE1' ' A' ' 64' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' -4' ' ' GLU . 4.6 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' -3' ' ' PHE . 9.9 mm-40 61.01 74.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' -4' ' ' GLU . 2.3 t80 58.53 120.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 131.0 35.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.39 155.09 24.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -109.39 -26.14 5.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 86.09 -72.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 110.008 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . -179.98 -169.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.29 50.28 16.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -176.06 -39.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.82 -34.17 7.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.75 -61.61 2.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -23.03 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.964 HD22 HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -70.55 -79.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 67.5 t80 -38.76 -44.54 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -39.6 -35.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.6 p -128.71 150.47 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.641 ' O ' HMC3 ' A' ' 104' ' ' HEC . 9.0 mmt-85 75.54 9.07 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.66 -65.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 2.8 mp -43.8 -38.19 3.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.478 ' OE1' HMC1 ' A' ' 104' ' ' HEC . 5.7 pt20 -45.99 -25.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.467 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 84.1 m -120.01 -60.52 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 126.829 3.204 . . . . 0.0 108.305 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.508 ' CD2' HD11 ' A' ' 32' ' ' LEU . 97.7 m-70 -100.2 153.06 19.57 Favored 'General case' 0 C--N 1.381 1.937 0 O-C-N 118.121 -2.862 . . . . 0.0 115.129 -163.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.448 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 19.0 p -123.72 93.56 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 111.116 -2.766 . . . . 0.0 110.357 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.682 HG23 ' HB1' ' A' ' 101' ' ' ALA . 7.7 p -53.77 -35.82 28.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -39.14 159.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 7.4 ttmm -65.84 -76.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.63 55.06 2.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.53 121.74 6.35 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 108.07 2.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 35.2 m-70 -39.24 132.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -116.69 -101.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 17' ' ' CYS . 53.7 t -78.4 -26.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.67 -178.79 18.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 166.86 28.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -68.24 156.0 38.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD11 ' CD2' ' A' ' 18' ' ' HIS . 59.9 mt -127.64 48.67 2.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 102' ' ' SER . 0.9 OUTLIER -60.67 -126.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.582 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' CA ' ' HB3' ' A' ' 102' ' ' SER . . . -82.45 56.48 5.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -59.08 -158.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.626 ' CE1' ' HE2' ' A' ' 64' ' ' MET . 25.6 m-85 56.98 116.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.1 22.72 5.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 16.4 mmt85 -148.39 -174.92 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' NE2' HD13 ' A' ' 58' ' ' LEU . 2.4 m170 -102.16 152.12 21.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.584 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.651 ' HB3' HG12 ' A' ' 57' ' ' VAL . 4.6 p -38.77 117.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.576 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 106.78 94.25 2.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 65.0 mt-30 -114.77 33.09 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.582 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -150.55 126.49 10.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.06 -55.76 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.64 -41.26 34.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 20.4 t80 -83.52 122.81 29.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 0.794 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.8 p -63.94 141.24 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.582 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 2.1 m-85 -116.32 -176.02 2.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -98.74 176.52 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.53 21.73 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.53 -55.41 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' LYS . 51.9 t30 -60.69 -68.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -40.47 -38.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -86.99 46.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -133.63 -46.75 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.4 23.93 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.651 HG12 ' HB3' ' A' ' 40' ' ' SER . 2.6 p -63.85 91.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.468 HD13 ' NE2' ' A' ' 39' ' ' HIS . 4.2 tp -67.49 93.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 41.5 m95 -54.03 115.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 107.957 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.28 -64.21 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.525 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 25.0 tt0 -178.44 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 65' ' ' SER . 1.3 m-80 -98.27 -60.36 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 64' ' ' MET . 6.7 p-10 -39.78 -33.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.626 ' HE2' ' CE1' ' A' ' 36' ' ' PHE . 4.0 tpp -73.72 -49.36 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.727 ' HB2' HD11 ' A' ' 95' ' ' ILE . 60.2 p -55.17 -42.8 73.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 69' ' ' THR . 0.0 OUTLIER -59.98 -31.8 70.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.658 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 2.6 t80 -81.67 -48.96 11.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' TYR . 73.6 mt -40.51 -42.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 66' ' ' GLU . 6.1 t -74.98 -40.4 60.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' TYR . 12.0 t-20 -128.14 72.68 79.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.658 ' HA ' ' CD2' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -29.33 8.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.961 0 O-C-N 127.662 3.101 . . . . 0.0 116.591 -178.106 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -87.66 -66.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.297 175.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -42.07 -53.4 3.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.484 HD12 ' CE2' ' A' ' 67' ' ' TYR . 67.9 mt -109.83 100.36 42.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 107.36 2.47 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 35.88 2.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.43 1.081 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.457 ' O ' ' CG2' ' A' ' 78' ' ' THR . 2.2 t -95.62 115.43 27.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -18.93 16.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.515 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 20.9 ttt -57.3 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.684 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -84.93 71.78 10.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 4.2 t80 -109.54 -55.65 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' THR . . . 103.14 -54.31 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 111.97 152.66 11.98 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' LYS . 1.3 mt -71.14 -108.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 4.5 mtmt 164.79 -48.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -75.03 100.18 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 91' ' ' ARG . 2.7 mt-10 -53.89 -28.33 35.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -47.15 -61.06 2.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' HB3' HD11 ' A' ' 9' ' ' LEU . 4.6 m-20 -61.32 -40.84 95.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 88' ' ' GLU . 8.8 mtm180 -56.52 -41.21 76.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.48 -44.74 89.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 96' ' ' THR . 52.0 m-20 -61.71 -52.05 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.964 HD12 HD22 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -60.41 -57.57 12.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.727 HD11 ' HB2' ' A' ' 65' ' ' SER . 42.1 mt -39.63 -37.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -61.73 -50.25 73.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 110.388 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 94' ' ' LEU . 20.3 t80 -77.59 -36.69 51.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.656 HD23 HD22 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -65.94 -31.7 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.486 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 21.8 tttm -34.41 -37.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.644 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -126.0 -60.53 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.682 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . 80.61 -14.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 16.6 p -85.57 -43.65 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 110.03 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.684 HBC2 ' O ' ' A' ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' -3' ' ' PHE . 2.3 pm0 -117.7 -37.05 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 1.015 ' CE2' ' HB2' ' A' ' -1' ' ' ALA . 1.3 t80 57.58 118.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' -1' ' ' ALA . 2.8 mmtt -90.55 34.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 1.015 ' HB2' ' CE2' ' A' ' -3' ' ' PHE . . . -37.12 154.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . 96.84 124.17 4.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER 157.69 93.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 0.0 110.062 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.35 63.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 2' ' ' SER . 24.3 tttt -103.93 -136.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 56.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.15 -46.84 2.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 97' ' ' TYR . . . -63.46 -61.08 2.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -21.4 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.655 HD13 HD23 ' A' ' 94' ' ' LEU . 2.6 tt -65.16 -77.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CD2' HD13 ' A' ' 15' ' ' LEU . 17.1 t80 -45.57 -34.02 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.63 -43.59 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.606 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -125.28 128.19 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.606 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.1 OUTLIER 92.92 16.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.428 ' SG ' ' CAB' ' A' ' 104' ' ' HEC . 63.2 m -155.82 -71.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' A' ' 10' ' ' PHE . 1.4 tp -45.19 -39.08 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -41.88 -27.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.495 ' SG ' HG11 ' A' ' 28' ' ' VAL . 73.0 m -110.54 -58.61 2.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 126.83 3.205 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -102.9 160.76 14.32 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 118.165 -2.834 . . . . 0.0 115.077 -163.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.443 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 12.2 p -123.33 115.13 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 111.071 -2.786 . . . . 0.0 110.423 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.819 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.7 p -65.52 -32.35 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.76 -179.79 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 7.0 tttt -101.08 -51.82 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.91 60.42 3.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.23 127.88 5.44 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.3 9.22 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.518 ' CB ' ' CD2' ' A' ' 46' ' ' TYR . 33.2 m-70 -45.37 133.98 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -114.15 -102.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.626 ' O ' HMD3 ' A' ' 104' ' ' HEC . 55.6 t -81.07 -24.67 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.14 178.7 20.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 165.39 31.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.443 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 2.3 m120 -81.19 119.62 23.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' HB3' HD12 ' A' ' 35' ' ' ILE . 80.0 mt -69.51 -66.27 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.52 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.9 OUTLIER 73.09 -129.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.559 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' A' ' 33' ' ' HIS . . . -98.55 61.62 0.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.494 HG13 ' HE1' ' A' ' 64' ' ' MET . 0.1 OUTLIER -62.55 -139.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 61' ' ' GLU . 20.3 m-85 49.59 100.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 120.45 -26.23 7.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.432 1.082 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 9.2 mmt180 -93.37 170.82 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.514 ' CE1' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -94.31 151.47 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.634 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' HIS . 93.1 p -37.55 134.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 82.93 95.86 0.55 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 77.2 mt-30 -119.44 29.25 7.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -130.11 127.92 40.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -110.33 100.98 9.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 136.9 -51.69 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.518 ' CD2' ' CB ' ' A' ' 26' ' ' HIS . 11.3 t80 -65.23 124.19 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.47 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 11.8 p -55.71 130.66 44.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CE2' ' O1A' ' A' ' 104' ' ' HEC . 0.8 OUTLIER -109.27 -179.28 3.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -100.87 167.68 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.19 22.52 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 76' ' ' PRO . . . -112.84 -56.06 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 53' ' ' ILE . 4.9 t-20 -60.75 -77.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 48' ' ' TYR . 14.4 mt -39.46 -33.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -85.57 45.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -145.92 -47.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 54.85 89.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.714 HG11 ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -128.87 102.43 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.6 tp -63.1 78.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.602 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 60.1 m95 -32.29 133.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.19 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.48 ' O ' HG21 ' A' ' 95' ' ' ILE . 29.0 tt0 175.65 -34.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -96.04 -59.11 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.594 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 25.8 p-10 -45.76 -47.78 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.602 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 16.8 tpp -45.03 -35.76 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.513 ' CB ' HD11 ' A' ' 95' ' ' ILE . 14.5 p -68.95 -49.79 54.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.587 ' O ' HG22 ' A' ' 69' ' ' THR . 2.0 tt0 -36.95 -43.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.714 ' OH ' HG11 ' A' ' 57' ' ' VAL . 8.7 m-85 -79.41 -52.04 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.523 HD21 HMB2 ' A' ' 104' ' ' HEC . 56.5 mt -42.15 -29.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 66' ' ' GLU . 7.6 t -91.42 -37.87 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' TYR . 9.1 t-20 -131.84 67.52 79.63 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.95 -29.92 7.8 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.625 HM11 ' CB ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.934 0 O-C-N 127.671 3.107 . . . . 0.0 116.623 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -116.83 -55.91 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.004 -1.453 . . . . 0.0 109.295 175.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -62.73 -42.95 99.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.433 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 54.5 mt -99.95 108.78 53.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 18.1 Cg_endo -75.02 108.56 2.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.793 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.9 55.77 3.48 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 78' ' ' THR . 14.2 t -94.5 107.56 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -40.14 -30.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.486 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 19.0 ttt -60.05 88.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.625 ' CB ' HM11 ' A' ' 72' ' ' M3L . . . -88.86 67.1 8.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.481 ' HD1' HMC2 ' A' ' 104' ' ' HEC . 22.1 t80 -97.08 143.49 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -47.95 -78.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 136.7 108.45 0.9 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.61 ' CD1' HD21 ' A' ' 9' ' ' LEU . 6.5 mt -86.2 130.94 34.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.726 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 50.73 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' LYS . 26.9 mmtt -132.63 85.54 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -38.79 -29.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -54.2 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' ASP . 5.4 m-20 -63.15 -53.07 59.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.477 ' O ' HD12 ' A' ' 95' ' ' ILE . 56.6 mtp180 -41.0 -44.02 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.13 -45.12 94.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 96' ' ' THR . 1.0 OUTLIER -68.01 -53.54 25.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.78 ' CD1' HD12 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -40.51 -73.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.513 HD11 ' CB ' ' A' ' 65' ' ' SER . 11.2 mt -39.38 -31.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -78.23 -50.11 12.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.415 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 7' ' ' ALA . 90.9 t80 -63.53 -40.5 97.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.78 HD12 ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -63.97 -50.62 67.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -32.88 3.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 103' ' ' GLU . 12.0 tptp -82.91 -61.72 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.819 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -45.66 -57.13 4.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 33' ' ' HIS . 1.2 m -49.2 -26.7 3.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 100' ' ' LYS . 16.5 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 1.428 ' CAB' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -163.02 71.71 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.59 ' CD2' ' OE2' ' A' ' 61' ' ' GLU . 2.3 t80 -176.88 96.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.422 ' HG2' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -63.57 124.46 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.15 155.75 27.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -113.46 -130.32 5.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -172.44 -75.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.97 35.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -146.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 58.09 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.94 -51.49 1.77 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.436 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . . . -52.28 -62.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.5 -21.47 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.1 HD22 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -70.75 -76.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.674 ' CD2' ' CD1' ' A' ' 15' ' ' LEU . 35.3 t80 -47.49 -22.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -75.45 -38.24 59.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -118.54 125.07 49.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 110.36 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER 84.76 22.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 97.5 m -157.77 -71.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.674 ' CD1' ' CD2' ' A' ' 10' ' ' PHE . 1.3 mp -45.57 -36.56 4.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -46.9 -24.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.468 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 75.7 m -112.07 -58.24 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 126.865 3.222 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -105.43 158.29 16.75 Favored 'General case' 0 C--N 1.382 1.981 0 O-C-N 118.121 -2.862 . . . . 0.0 115.081 -163.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 12.1 p -131.27 124.19 29.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 111.074 -2.785 . . . . 0.0 110.38 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.0 -39.87 58.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 6.5 mt-10 -45.2 168.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 33' ' ' HIS . 1.9 ttmt -86.97 -57.08 3.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.1 59.76 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.81 124.18 5.94 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.8 19.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.59 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 31.6 m-70 -57.42 139.31 53.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.534 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -129.98 -94.69 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.977 ' O ' HMD3 ' A' ' 104' ' ' HEC . 99.6 t -95.6 -30.91 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.67 157.11 22.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' HD3' ' CBD' ' A' ' 104' ' ' HEC . 18.4 Cg_endo -75.04 133.57 16.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.4 m120 -47.28 121.11 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' HB3' HG21 ' A' ' 35' ' ' ILE . 13.9 mt -79.53 -66.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.418 ' NE2' ' HE3' ' A' ' 22' ' ' LYS . 1.3 t-80 74.74 -136.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 35' ' ' ILE . . . -87.73 59.31 4.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -60.32 -146.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CD2' HG12 ' A' ' 35' ' ' ILE . 51.2 m-85 56.98 114.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.041 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.63 -32.74 5.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 9.3 mmt180 -90.5 170.75 9.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.458 ' CE1' HD13 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.94 152.59 18.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.413 ' HB3' HG23 ' A' ' 57' ' ' VAL . 95.6 p -38.15 137.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.554 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 82.88 91.67 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 66.9 mt-30 -116.37 27.32 9.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.16 130.55 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -96.19 -42.61 8.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.65 -46.78 24.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.59 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -71.93 130.46 41.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 0.788 . . . . 0.0 111.027 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -75.29 113.57 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.607 ' CE2' ' O2A' ' A' ' 104' ' ' HEC . 4.6 m-85 -91.28 176.13 6.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.5 p -107.46 -170.0 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.03 22.91 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.38 -51.24 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 53' ' ' ILE . 6.0 t-20 -63.65 -79.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.431 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 29.9 mt -39.57 -33.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 52' ' ' ASN . 12.3 mmtp -86.03 46.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -140.35 -51.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 55.47 84.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.489 HG11 ' OH ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -128.63 102.76 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.508 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.6 tp -62.56 79.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 58.9 m95 -34.31 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -141.88 -68.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE2' ' CD2' ' A' ' -3' ' ' PHE . 0.5 OUTLIER -177.09 -57.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.17 -46.33 20.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -44.64 -55.96 4.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.579 ' SD ' ' CE3' ' A' ' 59' ' ' TRP . 16.8 tpp -51.91 -49.44 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.744 ' HB2' HD11 ' A' ' 95' ' ' ILE . 9.7 p -43.89 -43.13 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.63 -52.95 62.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 1.175 ' CE1' HD12 ' A' ' 75' ' ' ILE . 7.0 t80 -53.16 -55.73 21.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.3 mt -52.38 -37.72 57.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -50.37 74.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -141.11 76.85 21.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.0 -29.42 8.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.547 HM13 ' HA ' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.479 0.979 0 O-C-N 127.683 3.115 . . . . 0.0 116.536 -178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.66 -65.03 1.0 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.298 175.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.489 ' OH ' HG11 ' A' ' 57' ' ' VAL . 17.5 t80 -37.58 -50.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 1.175 HD12 ' CE1' ' A' ' 67' ' ' TYR . 62.5 mt -114.75 91.85 27.36 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.72 2.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.0 42.44 1.53 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.533 ' HB ' HG22 ' A' ' 75' ' ' ILE . 7.4 t -110.71 114.97 28.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -48.57 -24.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.526 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 20.8 ttt -58.07 89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.547 ' HA ' HM13 ' A' ' 72' ' ' M3L . . . -92.7 65.92 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -87.44 -58.45 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 126.66 -70.28 0.5 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.98 125.07 4.51 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.14 173.78 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -143.54 45.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.9 mmmp? -132.84 92.05 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 5.8 mt-10 -38.04 -34.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -50.21 -69.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.405 ' CG ' HD11 ' A' ' 9' ' ' LEU . 4.9 m-20 -65.43 -56.3 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.779 ' O ' HD12 ' A' ' 95' ' ' ILE . 55.8 mtm180 -38.83 -47.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 91.3 m-20 -68.55 -54.13 18.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -48.96 -49.79 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.1 HD13 HD22 ' A' ' 9' ' ' LEU . 6.6 tp -46.57 -71.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 91' ' ' ARG . 4.0 mt -39.59 -44.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.86 -51.1 70.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CE1' ' HA ' ' A' ' 7' ' ' ALA . 56.1 t80 -70.03 -46.06 65.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -47.96 -50.65 26.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -63.76 -26.56 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' TYR . 6.8 ttpp -77.11 -63.06 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.89 82.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 98' ' ' LEU . 50.0 m -66.26 -28.74 68.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.977 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' -5' ' ' THR . 3.3 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -177.7 82.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.589 ' CG ' ' N ' ' A' ' -2' ' ' LYS . 9.6 t80 -52.04 169.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.589 ' N ' ' CG ' ' A' ' -3' ' ' PHE . 31.3 ttmt -161.4 136.91 7.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -40.12 154.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -128.62 -142.27 5.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 91.39 6.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.56 44.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.15 6.72 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -161.18 -103.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.571 ' O ' ' CD2' ' A' ' 97' ' ' TYR . . . 113.15 30.15 2.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 9' ' ' LEU . . . -159.73 -46.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.42 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.011 HD22 HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -89.0 -73.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.447 ' C ' ' N ' ' A' ' 12' ' ' THR . 55.5 t80 -38.87 -43.64 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -39.48 -30.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 10' ' ' PHE . 67.7 p -133.78 154.32 51.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 75.51 9.15 3.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.1 -62.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 108.326 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.91 -39.04 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -45.55 -25.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.465 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 81.4 m -118.08 -61.38 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 126.881 3.229 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -101.16 159.81 14.93 Favored 'General case' 0 C--N 1.381 1.964 0 O-C-N 118.129 -2.857 . . . . 0.0 115.103 -163.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 p -128.99 112.78 14.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 111.093 -2.776 . . . . 0.0 110.413 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.003 HG21 ' HB1' ' A' ' 101' ' ' ALA . 8.3 p -64.93 -22.2 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.7 OUTLIER -52.56 176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -98.18 -59.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 60.58 1.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.16 123.68 7.53 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.02 -9.02 20.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.437 1.756 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 30.8 m-70 85.21 134.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -114.62 -100.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.477 ' O ' HMD3 ' A' ' 104' ' ' HEC . 71.8 t -85.32 -24.04 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.09 171.6 23.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.484 ' CG ' ' O2A' ' A' ' 104' ' ' HEC . 18.3 Cg_endo -74.99 164.41 33.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 1.5 m120 -80.52 118.85 22.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' GLY . 25.7 mt -61.19 -39.51 90.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 102' ' ' SER . 6.8 t60 -39.21 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 135.92 -27.36 3.05 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 36' ' ' PHE . 2.8 pp -60.08 -165.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 35' ' ' ILE . 4.1 m-30 57.25 81.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 150.47 -73.87 0.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HB2' ' NE2' ' A' ' 42' ' ' GLN . 15.5 mmt180 -69.35 -162.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -107.28 172.57 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.601 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.436 ' HB3' HG23 ' A' ' 57' ' ' VAL . 63.1 p -40.53 137.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 81.64 90.66 0.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' NE2' ' HB2' ' A' ' 38' ' ' ARG . 24.2 mt-30 -121.37 28.13 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -113.84 139.14 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.13 45.81 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.28 41.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 26' ' ' HIS . 11.4 t80 -165.83 127.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.556 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 85.3 p -61.44 135.6 57.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 1.1 m-85 -110.27 177.58 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -85.83 172.12 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.28 18.66 20.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.19 -43.33 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 12.1 t-20 -63.18 -78.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' ASN . 27.7 mt -38.82 -32.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 52' ' ' ASN . 59.2 mmtt -86.52 44.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' ASN . 14.5 tppt? -138.27 -56.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 73.69 83.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.492 ' CG1' ' OH ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -124.23 104.74 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.4 tp -61.65 80.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.492 ' C ' ' O ' ' A' ' 58' ' ' LEU . 56.6 m95 -35.64 111.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -117.84 -77.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 95' ' ' ILE . 25.9 tt0 -175.51 -38.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.709 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -87.62 -48.06 8.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.447 ' CG ' ' N ' ' A' ' 64' ' ' MET . 7.5 p-10 -51.98 -42.86 63.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.574 ' HE2' HMA1 ' A' ' 104' ' ' HEC . 30.2 ttm -52.87 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 23.2 t -41.82 -38.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.18 -44.69 83.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.828 ' CE1' HD12 ' A' ' 75' ' ' ILE . 7.6 t80 -79.27 -31.27 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 64' ' ' MET . 64.2 mt -64.04 -50.13 69.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.48 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 10.2 t -66.85 -45.54 77.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -126.11 73.56 71.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.503 ' CA ' ' O ' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -75.08 -32.4 5.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.783 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.497 HM23 ' HD3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.478 0.946 0 O-C-N 127.683 3.114 . . . . 0.0 116.555 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -92.63 -69.4 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.284 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.492 ' OH ' ' CG1' ' A' ' 57' ' ' VAL . 1.6 t80 -38.68 -48.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.828 HD12 ' CE1' ' A' ' 67' ' ' TYR . 96.3 mt -113.83 107.05 53.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.33 2.46 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.39 31.45 6.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.494 ' OG1' ' CGD' ' A' ' 104' ' ' HEC . 2.7 t -77.21 110.7 12.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HG2' HMD2 ' A' ' 104' ' ' HEC . 7.0 tttt -47.73 -28.22 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.459 ' HG3' ' C4C' ' A' ' 104' ' ' HEC . 17.7 ttt -60.63 87.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' HA ' ' CM1' ' A' ' 72' ' ' M3L . . . -87.16 74.25 9.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.369 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 6.4 t80 -105.64 136.64 44.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -51.56 -58.21 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.546 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 129.9 127.15 2.89 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 91' ' ' ARG . 45.9 mt -60.84 -65.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 85.7 -65.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.2 mmpt? -59.0 95.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.1 pt-20 -34.01 -59.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 3.0 mtmt -40.45 -60.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.366 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.771 ' CG ' HD11 ' A' ' 9' ' ' LEU . 1.6 m-20 -48.06 -39.28 19.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.52 ' HA ' HD13 ' A' ' 85' ' ' LEU . 13.3 mtm180 -70.75 -39.23 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.36 -61.06 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.0 -49.49 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.011 HD23 HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -55.25 -66.91 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 61' ' ' GLU . 35.2 mt -49.05 -57.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -37.94 -54.11 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.382 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 44.8 t80 -72.87 -44.42 61.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.925 HD12 ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -49.8 -44.18 48.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -53.85 -20.05 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -111.94 -20.63 11.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.003 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -65.08 -59.18 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.934 ' OG ' HG22 ' A' ' 20' ' ' VAL . 1.2 m -168.46 49.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' SER . 7.3 pt-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.635 HBD2 ' HHA' ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' -4' ' ' GLU . 38.5 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' -5' ' ' THR . 0.2 OUTLIER 86.15 -12.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.449 ' CG ' ' OE2' ' A' ' 61' ' ' GLU . 20.9 t80 56.47 107.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.91 19.87 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 58.44 159.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . -124.76 -40.36 0.42 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 85.21 146.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.996 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.84 62.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -130.11 10.14 5.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 6.4 tttt -177.13 41.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.11 -58.13 0.36 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.29 -67.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.05 -30.41 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.956 HD22 ' HG ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -68.3 -75.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 68.0 t80 -43.63 -24.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.597 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -73.1 -45.37 57.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -112.59 127.4 56.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.362 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER 82.79 23.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 13' ' ' ARG . 65.1 m -159.23 -68.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 108.249 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.6 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 1.2 tp -44.95 -35.03 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -46.08 -25.62 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.562 ' SG ' HG11 ' A' ' 28' ' ' VAL . 99.6 m -114.87 -59.46 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 126.883 3.23 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -103.03 158.09 16.53 Favored 'General case' 0 C--N 1.382 1.98 0 O-C-N 118.138 -2.851 . . . . 0.0 115.09 -163.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.797 HG23 ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -124.45 127.6 47.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 111.104 -2.771 . . . . 0.0 110.412 -179.386 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.797 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.1 p -81.8 -28.92 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -48.15 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.4 ttmm -96.93 -64.76 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.89 57.61 3.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.63 134.02 10.36 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.19 13.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.467 1.772 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 46' ' ' TYR . 32.2 m-70 -90.52 147.22 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.639 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -135.6 -93.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.897 ' O ' HMD3 ' A' ' 104' ' ' HEC . 65.1 t -98.35 -28.9 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.2 153.23 21.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD3' ' CBD' ' A' ' 104' ' ' HEC . 18.2 Cg_endo -75.0 141.46 26.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.797 ' ND2' HG23 ' A' ' 19' ' ' THR . 0.9 OUTLIER -49.71 137.01 16.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -103.0 19.73 18.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 16.1 t60 -82.89 61.0 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.64 48.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 36' ' ' PHE . 2.6 pp -117.32 -162.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.696 ' N ' HD12 ' A' ' 35' ' ' ILE . 2.3 m-85 58.11 110.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.87 2.0 55.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.48 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 5.8 mmt85 -118.93 -170.52 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.529 ' NE2' HD13 ' A' ' 58' ' ' LEU . 1.4 m170 -116.39 148.67 40.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.548 ' HB3' HG12 ' A' ' 57' ' ' VAL . 95.2 p -34.58 129.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.954 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.568 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 92.07 98.56 1.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.48 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 74.8 mt-30 -139.2 26.16 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.528 ' HB3' ' HE1' ' A' ' 48' ' ' TYR . . . -113.39 131.79 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.8 70.97 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.69 -37.09 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.584 ' CD2' ' HB3' ' A' ' 26' ' ' HIS . 1.1 t80 -69.97 129.79 40.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.7 p -75.05 119.95 19.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.588 ' CE2' ' O1A' ' A' ' 104' ' ' HEC . 4.9 m-85 -100.41 179.06 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.0 p -113.59 178.99 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.498 ' OD1' ' CE ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -92.43 24.15 3.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.73 ' HB1' ' CG2' ' A' ' 75' ' ' ILE . . . -106.44 -64.45 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 55' ' ' LYS . 54.1 t30 -62.41 -67.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 48' ' ' TYR . 15.3 mt -42.73 -39.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.498 ' CE ' ' OD1' ' A' ' 50' ' ' ASP . 34.1 mmtt -87.76 45.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -139.82 -55.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER 76.83 35.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 57' ' ' VAL . 8.7 p -68.33 95.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.529 HD13 ' NE2' ' A' ' 39' ' ' HIS . 3.8 tp -64.57 99.43 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CH2' HG11 ' A' ' 57' ' ' VAL . 40.9 m95 -61.19 130.11 44.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 108.032 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.599 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 12.0 t70 -144.36 -65.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.874 ' HG3' HG21 ' A' ' 95' ' ' ILE . 28.7 tt0 -171.31 -75.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -65.22 -43.99 89.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.522 HD21 HG22 ' A' ' 57' ' ' VAL . 16.7 t30 -57.09 -55.02 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.588 ' HE2' ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -56.01 -52.65 63.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.752 ' HB3' HD11 ' A' ' 95' ' ' ILE . 79.2 p -54.71 -43.62 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -52.82 -32.16 42.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.68 ' CE1' HD12 ' A' ' 75' ' ' ILE . 8.4 t80 -87.34 -51.27 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -41.85 -44.21 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 70' ' ' ASN . 5.0 t -66.73 -49.41 66.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 69' ' ' THR . 12.8 t-20 -126.32 74.47 73.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.557 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.03 -29.61 8.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.535 HM21 ' HB1' ' A' ' 81' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.961 0 O-C-N 127.706 3.128 . . . . 0.0 116.591 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -64.19 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.05 -1.432 . . . . 0.0 109.307 175.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -40.75 -55.15 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.73 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 64.7 mt -109.67 100.33 41.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.88 3.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.9 44.12 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 78' ' ' THR . 11.1 t -106.69 110.45 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 0.771 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -29.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.522 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 21.9 ttt -57.58 90.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.549 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -93.76 83.32 4.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 11.6 t80 -115.38 138.12 51.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.68 -64.04 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 119.64 111.38 2.36 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.74 104.06 10.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -92.04 37.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -132.86 85.04 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -39.03 -36.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.45 -43.4 83.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 95' ' ' ILE . 6.4 mtt180 -53.54 -41.02 65.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -63.11 -52.5 62.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -48.53 -56.99 6.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.956 ' HG ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -52.1 -68.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.874 HG21 ' HG3' ' A' ' 61' ' ' GLU . 18.5 mt -39.64 -54.55 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -40.3 -51.1 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 101' ' ' ALA . 19.5 t80 -79.7 -48.36 13.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.646 HD23 HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -42.98 -53.87 4.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' GLU . 19.9 tptp -40.35 -47.4 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLU . 9.2 ttmm -79.11 -50.63 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.797 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -40.25 -48.94 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m -82.95 -28.91 29.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 7.9 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.897 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' -3' ' ' PHE . 1.2 pm0 -38.97 -33.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' -2' ' ' LYS . 0.0 OUTLIER -174.1 141.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.466 ' O ' ' CE2' ' A' ' -3' ' ' PHE . 2.9 ttmt -84.16 140.96 31.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -115.94 154.25 30.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' HA2' HG21 ' A' ' 96' ' ' THR . . . 66.99 131.33 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.443 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 11.3 t 170.39 41.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.82 175.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.01 40.64 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 2' ' ' SER . 1.3 ptpm? 173.21 -33.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.08 -24.55 40.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.8 -60.87 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.38 -23.36 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.914 HD11 HD22 ' A' ' 85' ' ' LEU . 5.4 tt -63.65 -76.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CE2' ' CD1' ' A' ' 15' ' ' LEU . 61.6 t80 -46.53 -33.08 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.04 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -116.14 60.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 19.1 mmt180 -145.78 -46.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' HMC3 ' A' ' 104' ' ' HEC . 0.0 OUTLIER -114.2 -39.91 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.303 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.548 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 3.0 tp -42.66 -38.14 1.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -44.56 -29.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 m -109.35 -56.8 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 126.839 3.209 . . . . 0.0 108.279 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 30' ' ' PRO . 95.9 m-70 -103.26 157.72 16.81 Favored 'General case' 0 C--N 1.381 1.967 0 O-C-N 118.176 -2.828 . . . . 0.0 115.069 -163.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.454 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.8 p -128.88 108.57 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 111.123 -2.762 . . . . 0.0 110.407 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.478 HG21 ' HB1' ' A' ' 101' ' ' ALA . 12.5 p -56.36 -32.84 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 4.0 mt-10 -70.09 161.45 30.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.544 ' CE ' ' ND1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -90.54 -161.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.84 31.79 5.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.54 129.7 8.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.16 13.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.994 ' CE1' ' HB1' ' A' ' 43' ' ' ALA . 72.5 m-70 -51.1 111.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -93.98 -106.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.901 ' O ' HMD3 ' A' ' 104' ' ' HEC . 93.0 t -78.22 -32.88 17.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.41 168.2 25.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.661 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 18.2 Cg_endo -75.01 156.55 42.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' THR . 4.9 t-20 -71.59 152.97 42.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.536 ' HB3' HD12 ' A' ' 35' ' ' ILE . 13.7 mt -115.76 40.1 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.544 ' ND1' ' CE ' ' A' ' 22' ' ' LYS . 6.1 t-80 -62.62 104.13 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 102' ' ' SER . . . 48.25 95.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -114.76 -149.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.675 ' CZ ' ' CE ' ' A' ' 64' ' ' MET . 55.0 m-85 56.47 114.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.99 1.86 48.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' CB ' ' CD ' ' A' ' 42' ' ' GLN . 3.8 mmt85 -116.63 -169.85 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.791 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.561 ' NE2' HD13 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -108.34 148.17 30.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.607 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.613 ' HB3' HG12 ' A' ' 57' ' ' VAL . 4.0 p -41.66 117.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.44 96.08 2.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.491 ' CD ' ' CB ' ' A' ' 38' ' ' ARG . 63.2 mt-30 -137.16 9.82 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.994 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -72.96 -8.11 54.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ALA . 3.4 tm-20 35.24 86.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.34 -46.5 0.63 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.497 ' CD1' ' CB ' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -87.84 133.37 33.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 0.0 110.97 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' TYR . 41.4 t -82.05 7.78 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' HB2' HD12 ' A' ' 53' ' ' ILE . 4.6 m-85 43.41 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.4 p -97.92 -174.46 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.99 26.3 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -116.52 -55.08 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 55' ' ' LYS . 9.2 t-20 -64.75 -82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.58 HD12 ' HB2' ' A' ' 48' ' ' TYR . 24.0 mt -38.1 -35.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' ASN . 11.4 mmtt -86.84 46.47 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -147.49 -52.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER 78.46 32.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.613 HG12 ' HB3' ' A' ' 40' ' ' SER . 3.2 p -60.48 83.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD13 ' NE2' ' A' ' 39' ' ' HIS . 6.0 tp -63.78 92.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CE3' ' HG3' ' A' ' 64' ' ' MET . 27.8 m95 -53.99 152.72 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -157.05 -63.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -167.12 -68.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -79.91 -41.26 26.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -44.75 -53.13 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.675 ' CE ' ' CZ ' ' A' ' 36' ' ' PHE . 3.4 ttm -61.68 -38.8 89.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.58 ' OG ' HD11 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -55.58 -55.45 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -51.8 -31.22 26.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.467 ' CE2' HD23 ' A' ' 68' ' ' LEU . 6.7 t80 -82.72 -58.29 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.597 HD11 ' SD ' ' A' ' 64' ' ' MET . 59.3 mt -40.31 -44.98 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 66' ' ' GLU . 9.3 t -68.55 -44.6 74.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' TYR . 12.9 t-20 -127.64 73.62 78.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -74.97 -29.8 7.9 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.412 HM13 ' HD3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.479 0.976 0 O-C-N 127.65 3.094 . . . . 0.0 116.641 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.03 -64.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 113.971 -1.468 . . . . 0.0 109.284 175.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -41.96 -53.44 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mm -98.82 109.62 54.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -74.98 103.05 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.86 54.2 2.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 78' ' ' THR . 5.2 t -101.57 111.09 23.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.59 -23.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.478 ' HB2' ' C4D' ' A' ' 104' ' ' HEC . 20.8 ttt -59.55 92.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.543 ' O ' HBC2 ' A' ' 104' ' ' HEC . . . -91.11 82.39 5.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -114.45 128.94 56.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.64 -60.48 4.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.42 134.38 4.03 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.914 HD22 HD11 ' A' ' 9' ' ' LEU . 21.8 mt -63.42 -64.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER 83.5 -51.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLU . 8.1 mmtm -71.05 84.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -38.18 -36.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -69.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.466 ' HB3' HD12 ' A' ' 9' ' ' LEU . 2.4 m-20 -53.05 -50.26 64.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.572 ' O ' HD12 ' A' ' 95' ' ' ILE . 12.7 mtm105 -48.43 -42.24 31.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.416 ' HA ' ' CE2' ' A' ' -3' ' ' PHE . 40.5 m-20 -58.79 -27.69 65.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -85.21 -48.57 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.804 HD23 HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.98 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.58 HD11 ' OG ' ' A' ' 65' ' ' SER . 3.5 mt -41.33 -29.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -77.78 -47.65 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' LEU . 13.5 t80 -72.46 -47.6 47.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.572 HD12 HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -58.49 -53.48 57.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 3.6 tttt -51.05 -39.54 56.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -73.49 -61.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.478 ' HB1' HG21 ' A' ' 20' ' ' VAL . . . -46.89 -59.39 3.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.488 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 45.9 p -46.48 -25.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.901 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_